USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1002 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= -2.56 X(o=-7.9,f=-7.9!) USER MOD Set 1.2: A 115 ASN : amide:sc= -5.29! C(o=-7.9!,f=-10!) USER MOD Set 2.1: A 112 THR OG1 : rot 151:sc= 0.953 USER MOD Set 2.2: A 121 GLN : amide:sc= 1.17 K(o=2.1,f=-0.0021) USER MOD Set 3.1: A 110 THR OG1 : rot 180:sc=-0.00473 USER MOD Set 3.2: A 123 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.017) USER MOD Set 4.1: A 45 LYS NZ :NH3+ 161:sc= -0.0251 (180deg=0) USER MOD Set 4.2: A 79 CYS SG : rot 138:sc= 0.0656 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 34 SER OG : rot -131:sc= 0.254 USER MOD Single : A 1 ARG N :NH3+ -149:sc= -0.364 (180deg=-1.34) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -8.3! C(o=-10!,f=-8.3!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0943 USER MOD Single : A 25 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.4!) USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= 1.27 (180deg=0.788) USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.808 USER MOD Single : A 44 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.68) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.81! C(o=-1.8!,f=-6!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.078) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 152:sc= 1.04 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -120:sc= -1.06 USER MOD Single : A 89 THR OG1 : rot 136:sc= -0.928 USER MOD Single : A 90 THR OG1 : rot 41:sc= -0.0377 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 132:sc= -2.87 USER MOD Single : A 97 THR OG1 : rot 47:sc= 0.0216 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 19:sc= 1.2 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0019) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 26.761 1.611 -7.156 0.50 0.00 N ATOM 2 CA ARG A 1 27.707 2.741 -6.921 0.50 0.00 C ATOM 3 C ARG A 1 27.060 4.065 -7.336 0.50 0.00 C ATOM 4 O ARG A 1 27.128 4.468 -8.481 0.50 0.00 O ATOM 5 CB ARG A 1 28.917 2.434 -7.804 0.50 0.00 C ATOM 6 CG ARG A 1 29.979 1.701 -6.980 0.50 0.00 C ATOM 7 CD ARG A 1 29.755 0.189 -7.079 0.50 0.00 C ATOM 8 NE ARG A 1 30.860 -0.311 -7.944 0.50 0.00 N ATOM 9 CZ ARG A 1 31.162 -1.581 -7.947 0.50 0.00 C ATOM 10 NH1 ARG A 1 32.194 -2.007 -7.271 0.50 0.00 N ATOM 11 NH2 ARG A 1 30.433 -2.424 -8.625 0.50 0.00 N ATOM 0 H1 ARG A 1 26.931 0.864 -6.453 0.50 0.00 H new ATOM 0 H2 ARG A 1 25.783 1.953 -7.068 0.50 0.00 H new ATOM 0 H3 ARG A 1 26.909 1.227 -8.111 0.50 0.00 H new ATOM 0 HA ARG A 1 27.984 2.838 -5.871 0.50 0.00 H new ATOM 0 HB2 ARG A 1 28.614 1.822 -8.654 0.50 0.00 H new ATOM 0 HB3 ARG A 1 29.329 3.359 -8.208 0.50 0.00 H new ATOM 0 HG2 ARG A 1 30.975 1.956 -7.343 0.50 0.00 H new ATOM 0 HG3 ARG A 1 29.929 2.019 -5.939 0.50 0.00 H new ATOM 0 HD2 ARG A 1 29.782 -0.279 -6.095 0.50 0.00 H new ATOM 0 HD3 ARG A 1 28.781 -0.038 -7.513 0.50 0.00 H new ATOM 0 HE ARG A 1 31.380 0.339 -8.534 0.50 0.00 H new ATOM 0 HH11 ARG A 1 32.764 -1.348 -6.741 0.50 0.00 H new ATOM 0 HH12 ARG A 1 32.431 -2.999 -7.273 0.50 0.00 H new ATOM 0 HH21 ARG A 1 29.626 -2.091 -9.153 0.50 0.00 H new ATOM 0 HH22 ARG A 1 30.670 -3.416 -8.627 0.50 0.00 H new ATOM 27 N GLN A 2 26.431 4.744 -6.414 0.50 0.00 N ATOM 28 CA GLN A 2 25.778 6.044 -6.753 0.50 0.00 C ATOM 29 C GLN A 2 25.525 6.864 -5.477 0.50 0.00 C ATOM 30 O GLN A 2 26.434 7.459 -4.932 0.50 0.00 O ATOM 31 CB GLN A 2 24.463 5.672 -7.457 0.50 0.00 C ATOM 32 CG GLN A 2 23.843 4.435 -6.802 0.50 0.00 C ATOM 33 CD GLN A 2 22.317 4.543 -6.834 0.50 0.00 C ATOM 34 OE1 GLN A 2 21.698 4.269 -7.843 0.50 0.00 O ATOM 35 NE2 GLN A 2 21.680 4.931 -5.762 0.50 0.00 N ATOM 0 H GLN A 2 26.341 4.455 -5.440 0.50 0.00 H new ATOM 0 HA GLN A 2 26.403 6.665 -7.395 0.50 0.00 H new ATOM 0 HB2 GLN A 2 23.765 6.508 -7.405 0.50 0.00 H new ATOM 0 HB3 GLN A 2 24.650 5.478 -8.513 0.50 0.00 H new ATOM 0 HG2 GLN A 2 24.164 3.535 -7.326 0.50 0.00 H new ATOM 0 HG3 GLN A 2 24.189 4.345 -5.772 0.50 0.00 H new ATOM 0 HE21 GLN A 2 22.200 5.161 -4.915 0.50 0.00 H new ATOM 0 HE22 GLN A 2 20.663 5.004 -5.772 0.50 0.00 H new ATOM 44 N GLU A 3 24.308 6.905 -4.991 0.50 0.00 N ATOM 45 CA GLU A 3 24.024 7.691 -3.755 0.50 0.00 C ATOM 46 C GLU A 3 23.330 6.806 -2.711 0.50 0.00 C ATOM 47 O GLU A 3 22.621 5.882 -3.056 0.50 0.00 O ATOM 48 CB GLU A 3 23.095 8.817 -4.208 0.50 0.00 C ATOM 49 CG GLU A 3 23.868 9.789 -5.102 0.50 0.00 C ATOM 50 CD GLU A 3 23.282 11.194 -4.955 0.50 0.00 C ATOM 51 OE1 GLU A 3 22.067 11.311 -4.952 0.50 0.00 O ATOM 52 OE2 GLU A 3 24.057 12.130 -4.847 0.50 0.00 O ATOM 0 H GLU A 3 23.503 6.429 -5.397 0.50 0.00 H new ATOM 0 HA GLU A 3 24.933 8.074 -3.291 0.50 0.00 H new ATOM 0 HB2 GLU A 3 22.245 8.405 -4.751 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.695 9.343 -3.341 0.50 0.00 H new ATOM 0 HG2 GLU A 3 24.923 9.793 -4.826 0.50 0.00 H new ATOM 0 HG3 GLU A 3 23.811 9.467 -6.142 0.50 0.00 H new ATOM 59 N PRO A 4 23.558 7.122 -1.459 0.50 0.00 N ATOM 60 CA PRO A 4 22.944 6.345 -0.352 0.50 0.00 C ATOM 61 C PRO A 4 21.425 6.561 -0.312 0.50 0.00 C ATOM 62 O PRO A 4 20.962 7.677 -0.177 0.50 0.00 O ATOM 63 CB PRO A 4 23.610 6.918 0.899 0.50 0.00 C ATOM 64 CG PRO A 4 24.043 8.290 0.503 0.50 0.00 C ATOM 65 CD PRO A 4 24.394 8.219 -0.958 0.50 0.00 C ATOM 0 HA PRO A 4 23.090 5.270 -0.455 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.915 6.949 1.739 0.50 0.00 H new ATOM 0 HB3 PRO A 4 24.459 6.309 1.210 0.50 0.00 H new ATOM 0 HG2 PRO A 4 23.247 9.014 0.676 0.50 0.00 H new ATOM 0 HG3 PRO A 4 24.901 8.612 1.093 0.50 0.00 H new ATOM 0 HD2 PRO A 4 24.175 9.156 -1.469 0.50 0.00 H new ATOM 0 HD3 PRO A 4 25.454 8.015 -1.106 0.50 0.00 H new ATOM 73 N PRO A 5 20.696 5.478 -0.432 0.50 0.00 N ATOM 74 CA PRO A 5 19.212 5.548 -0.408 0.50 0.00 C ATOM 75 C PRO A 5 18.717 5.889 1.000 0.50 0.00 C ATOM 76 O PRO A 5 19.366 5.590 1.983 0.50 0.00 O ATOM 77 CB PRO A 5 18.785 4.135 -0.798 0.50 0.00 C ATOM 78 CG PRO A 5 19.936 3.272 -0.406 0.50 0.00 C ATOM 79 CD PRO A 5 21.173 4.099 -0.600 0.50 0.00 C ATOM 0 HA PRO A 5 18.808 6.314 -1.070 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.873 3.839 -0.279 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.582 4.063 -1.866 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.844 2.949 0.631 0.50 0.00 H new ATOM 0 HG3 PRO A 5 19.972 2.371 -1.018 0.50 0.00 H new ATOM 0 HD2 PRO A 5 21.941 3.849 0.131 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.609 3.943 -1.587 0.50 0.00 H new ATOM 87 N LYS A 6 17.569 6.505 1.107 0.50 0.00 N ATOM 88 CA LYS A 6 17.034 6.855 2.457 0.50 0.00 C ATOM 89 C LYS A 6 15.586 7.346 2.352 0.50 0.00 C ATOM 90 O LYS A 6 15.165 7.870 1.340 0.50 0.00 O ATOM 91 CB LYS A 6 17.953 7.956 2.997 0.50 0.00 C ATOM 92 CG LYS A 6 18.126 9.058 1.949 0.50 0.00 C ATOM 93 CD LYS A 6 19.108 10.115 2.472 0.50 0.00 C ATOM 94 CE LYS A 6 20.215 10.352 1.439 0.50 0.00 C ATOM 95 NZ LYS A 6 20.118 11.798 1.095 0.50 0.00 N ATOM 0 H LYS A 6 16.980 6.780 0.321 0.50 0.00 H new ATOM 0 HA LYS A 6 17.020 5.992 3.122 0.50 0.00 H new ATOM 0 HB2 LYS A 6 17.533 8.375 3.911 0.50 0.00 H new ATOM 0 HB3 LYS A 6 18.924 7.535 3.257 0.50 0.00 H new ATOM 0 HG2 LYS A 6 18.497 8.632 1.017 0.50 0.00 H new ATOM 0 HG3 LYS A 6 17.163 9.519 1.729 0.50 0.00 H new ATOM 0 HD2 LYS A 6 18.580 11.047 2.673 0.50 0.00 H new ATOM 0 HD3 LYS A 6 19.543 9.785 3.415 0.50 0.00 H new ATOM 0 HE2 LYS A 6 21.195 10.109 1.848 0.50 0.00 H new ATOM 0 HE3 LYS A 6 20.073 9.726 0.558 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 20.846 12.037 0.391 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 19.177 11.999 0.701 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 20.264 12.369 1.952 0.50 0.00 H new ATOM 109 N ILE A 7 14.821 7.161 3.396 0.50 0.00 N ATOM 110 CA ILE A 7 13.389 7.591 3.381 0.50 0.00 C ATOM 111 C ILE A 7 13.257 9.107 3.589 0.50 0.00 C ATOM 112 O ILE A 7 12.167 9.643 3.601 0.50 0.00 O ATOM 113 CB ILE A 7 12.742 6.820 4.539 0.50 0.00 C ATOM 114 CG1 ILE A 7 13.040 5.322 4.394 0.50 0.00 C ATOM 115 CG2 ILE A 7 11.225 7.028 4.522 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.759 4.876 2.955 0.50 0.00 C ATOM 0 H ILE A 7 15.129 6.727 4.266 0.50 0.00 H new ATOM 0 HA ILE A 7 12.911 7.382 2.424 0.50 0.00 H new ATOM 0 HB ILE A 7 13.152 7.189 5.479 0.50 0.00 H new ATOM 0 HG12 ILE A 7 14.080 5.122 4.650 0.50 0.00 H new ATOM 0 HG13 ILE A 7 12.425 4.750 5.089 0.50 0.00 H new ATOM 0 HG21 ILE A 7 10.773 6.477 5.347 0.50 0.00 H new ATOM 0 HG22 ILE A 7 11.002 8.090 4.629 0.50 0.00 H new ATOM 0 HG23 ILE A 7 10.819 6.665 3.578 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.972 3.812 2.856 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.712 5.061 2.715 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.393 5.438 2.269 0.50 0.00 H new ATOM 128 N HIS A 8 14.351 9.804 3.743 0.50 0.00 N ATOM 129 CA HIS A 8 14.262 11.283 3.943 0.50 0.00 C ATOM 130 C HIS A 8 15.125 12.027 2.914 0.50 0.00 C ATOM 131 O HIS A 8 15.933 11.442 2.222 0.50 0.00 O ATOM 132 CB HIS A 8 14.751 11.537 5.376 0.50 0.00 C ATOM 133 CG HIS A 8 16.225 11.253 5.492 0.50 0.00 C ATOM 134 ND1 HIS A 8 17.119 10.674 4.630 0.50 0.00 N flip ATOM 135 CD2 HIS A 8 16.952 11.585 6.624 0.50 0.00 C flip ATOM 136 CE1 HIS A 8 18.382 10.644 5.213 0.50 0.00 C flip ATOM 137 NE2 HIS A 8 18.225 11.205 6.415 0.50 0.00 N flip ATOM 0 H HIS A 8 15.296 9.419 3.739 0.50 0.00 H new ATOM 0 HA HIS A 8 13.245 11.650 3.803 0.50 0.00 H new ATOM 0 HB2 HIS A 8 14.551 12.571 5.656 0.50 0.00 H new ATOM 0 HB3 HIS A 8 14.198 10.906 6.072 0.50 0.00 H new ATOM 0 HD2 HIS A 8 16.566 12.062 7.513 0.50 0.00 H new ATOM 0 HE1 HIS A 8 19.293 10.252 4.786 0.50 0.00 H new ATOM 0 HE2 HIS A 8 18.978 11.330 7.091 0.50 0.00 H new ATOM 145 N LEU A 9 14.945 13.318 2.807 0.50 0.00 N ATOM 146 CA LEU A 9 15.744 14.115 1.823 0.50 0.00 C ATOM 147 C LEU A 9 15.978 15.533 2.367 0.50 0.00 C ATOM 148 O LEU A 9 15.982 15.744 3.565 0.50 0.00 O ATOM 149 CB LEU A 9 14.937 14.150 0.497 0.50 0.00 C ATOM 150 CG LEU A 9 13.411 13.991 0.695 0.50 0.00 C ATOM 151 CD1 LEU A 9 13.069 12.538 1.035 0.50 0.00 C ATOM 152 CD2 LEU A 9 12.893 14.919 1.804 0.50 0.00 C ATOM 0 H LEU A 9 14.278 13.858 3.359 0.50 0.00 H new ATOM 0 HA LEU A 9 16.723 13.666 1.652 0.50 0.00 H new ATOM 0 HB2 LEU A 9 15.132 15.094 -0.012 0.50 0.00 H new ATOM 0 HB3 LEU A 9 15.295 13.355 -0.157 0.50 0.00 H new ATOM 0 HG LEU A 9 12.923 14.268 -0.240 0.50 0.00 H new ATOM 0 HD11 LEU A 9 11.992 12.440 1.172 0.50 0.00 H new ATOM 0 HD12 LEU A 9 13.392 11.888 0.222 0.50 0.00 H new ATOM 0 HD13 LEU A 9 13.579 12.250 1.954 0.50 0.00 H new ATOM 0 HD21 LEU A 9 11.818 14.784 1.919 0.50 0.00 H new ATOM 0 HD22 LEU A 9 13.391 14.678 2.743 0.50 0.00 H new ATOM 0 HD23 LEU A 9 13.102 15.955 1.538 0.50 0.00 H new ATOM 164 N ASP A 10 16.163 16.507 1.509 0.50 0.00 N ATOM 165 CA ASP A 10 16.384 17.903 1.998 0.50 0.00 C ATOM 166 C ASP A 10 15.238 18.291 2.927 0.50 0.00 C ATOM 167 O ASP A 10 15.407 19.038 3.871 0.50 0.00 O ATOM 168 CB ASP A 10 16.381 18.775 0.741 0.50 0.00 C ATOM 169 CG ASP A 10 16.648 20.230 1.128 0.50 0.00 C ATOM 170 OD1 ASP A 10 17.733 20.504 1.615 0.50 0.00 O ATOM 171 OD2 ASP A 10 15.762 21.047 0.932 0.50 0.00 O ATOM 0 H ASP A 10 16.170 16.396 0.495 0.50 0.00 H new ATOM 0 HA ASP A 10 17.314 18.016 2.555 0.50 0.00 H new ATOM 0 HB2 ASP A 10 17.143 18.428 0.043 0.50 0.00 H new ATOM 0 HB3 ASP A 10 15.421 18.694 0.231 0.50 0.00 H new ATOM 176 N CYS A 11 14.075 17.760 2.671 0.50 0.00 N ATOM 177 CA CYS A 11 12.906 18.056 3.536 0.50 0.00 C ATOM 178 C CYS A 11 12.520 16.783 4.297 0.50 0.00 C ATOM 179 O CYS A 11 11.572 16.111 3.944 0.50 0.00 O ATOM 180 CB CYS A 11 11.790 18.479 2.579 0.50 0.00 C ATOM 181 SG CYS A 11 10.581 19.487 3.473 0.50 0.00 S ATOM 0 H CYS A 11 13.886 17.129 1.892 0.50 0.00 H new ATOM 0 HA CYS A 11 13.106 18.835 4.272 0.50 0.00 H new ATOM 0 HB2 CYS A 11 12.206 19.045 1.745 0.50 0.00 H new ATOM 0 HB3 CYS A 11 11.305 17.599 2.157 0.50 0.00 H new ATOM 0 HG CYS A 11 9.633 19.849 2.661 0.50 0.00 H new ATOM 187 N PRO A 12 13.291 16.485 5.312 0.50 0.00 N ATOM 188 CA PRO A 12 13.048 15.263 6.121 0.50 0.00 C ATOM 189 C PRO A 12 11.757 15.386 6.932 0.50 0.00 C ATOM 190 O PRO A 12 10.940 16.254 6.695 0.50 0.00 O ATOM 191 CB PRO A 12 14.268 15.192 7.037 0.50 0.00 C ATOM 192 CG PRO A 12 14.764 16.599 7.123 0.50 0.00 C ATOM 193 CD PRO A 12 14.445 17.248 5.804 0.50 0.00 C ATOM 0 HA PRO A 12 12.924 14.369 5.510 0.50 0.00 H new ATOM 0 HB2 PRO A 12 14.002 14.806 8.021 0.50 0.00 H new ATOM 0 HB3 PRO A 12 15.030 14.528 6.629 0.50 0.00 H new ATOM 0 HG2 PRO A 12 14.281 17.131 7.943 0.50 0.00 H new ATOM 0 HG3 PRO A 12 15.837 16.621 7.316 0.50 0.00 H new ATOM 0 HD2 PRO A 12 14.205 18.304 5.925 0.50 0.00 H new ATOM 0 HD3 PRO A 12 15.287 17.190 5.115 0.50 0.00 H new ATOM 201 N GLY A 13 11.567 14.510 7.881 0.50 0.00 N ATOM 202 CA GLY A 13 10.329 14.553 8.708 0.50 0.00 C ATOM 203 C GLY A 13 9.525 13.272 8.474 0.50 0.00 C ATOM 204 O GLY A 13 8.312 13.279 8.493 0.50 0.00 O ATOM 0 H GLY A 13 12.220 13.763 8.119 0.50 0.00 H new ATOM 0 HA2 GLY A 13 10.585 14.649 9.763 0.50 0.00 H new ATOM 0 HA3 GLY A 13 9.731 15.425 8.445 0.50 0.00 H new ATOM 208 N ARG A 14 10.203 12.173 8.248 0.50 0.00 N ATOM 209 CA ARG A 14 9.504 10.875 8.003 0.50 0.00 C ATOM 210 C ARG A 14 8.619 10.970 6.758 0.50 0.00 C ATOM 211 O ARG A 14 8.041 11.998 6.467 0.50 0.00 O ATOM 212 CB ARG A 14 8.651 10.614 9.253 0.50 0.00 C ATOM 213 CG ARG A 14 9.544 10.619 10.498 0.50 0.00 C ATOM 214 CD ARG A 14 10.383 9.339 10.531 0.50 0.00 C ATOM 215 NE ARG A 14 10.385 8.918 11.959 0.50 0.00 N ATOM 216 CZ ARG A 14 9.815 7.796 12.309 0.50 0.00 C ATOM 217 NH1 ARG A 14 10.168 6.678 11.736 0.50 0.00 N ATOM 218 NH2 ARG A 14 8.894 7.793 13.233 0.50 0.00 N ATOM 0 H ARG A 14 11.221 12.121 8.223 0.50 0.00 H new ATOM 0 HA ARG A 14 10.213 10.066 7.828 0.50 0.00 H new ATOM 0 HB2 ARG A 14 7.879 11.378 9.344 0.50 0.00 H new ATOM 0 HB3 ARG A 14 8.141 9.655 9.163 0.50 0.00 H new ATOM 0 HG2 ARG A 14 10.195 11.493 10.488 0.50 0.00 H new ATOM 0 HG3 ARG A 14 8.932 10.688 11.397 0.50 0.00 H new ATOM 0 HD2 ARG A 14 9.952 8.568 9.893 0.50 0.00 H new ATOM 0 HD3 ARG A 14 11.396 9.521 10.172 0.50 0.00 H new ATOM 0 HE ARG A 14 10.831 9.505 12.664 0.50 0.00 H new ATOM 0 HH11 ARG A 14 10.889 6.680 11.015 0.50 0.00 H new ATOM 0 HH12 ARG A 14 9.723 5.802 12.009 0.50 0.00 H new ATOM 0 HH21 ARG A 14 8.619 8.667 13.682 0.50 0.00 H new ATOM 0 HH22 ARG A 14 8.449 6.917 13.506 0.50 0.00 H new ATOM 232 N ILE A 15 8.509 9.898 6.020 0.50 0.00 N ATOM 233 CA ILE A 15 7.660 9.916 4.793 0.50 0.00 C ATOM 234 C ILE A 15 6.185 9.767 5.197 0.50 0.00 C ATOM 235 O ILE A 15 5.866 9.004 6.085 0.50 0.00 O ATOM 236 CB ILE A 15 8.148 8.714 3.960 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.123 9.209 2.886 0.50 0.00 C ATOM 238 CG2 ILE A 15 6.966 8.010 3.281 0.50 0.00 C ATOM 239 CD1 ILE A 15 9.707 8.016 2.120 0.50 0.00 C ATOM 0 H ILE A 15 8.971 9.009 6.214 0.50 0.00 H new ATOM 0 HA ILE A 15 7.738 10.843 4.225 0.50 0.00 H new ATOM 0 HB ILE A 15 8.644 8.006 4.624 0.50 0.00 H new ATOM 0 HG12 ILE A 15 8.609 9.878 2.196 0.50 0.00 H new ATOM 0 HG13 ILE A 15 9.926 9.783 3.348 0.50 0.00 H new ATOM 0 HG21 ILE A 15 7.332 7.165 2.698 0.50 0.00 H new ATOM 0 HG22 ILE A 15 6.270 7.653 4.040 0.50 0.00 H new ATOM 0 HG23 ILE A 15 6.455 8.711 2.621 0.50 0.00 H new ATOM 0 HD11 ILE A 15 10.399 8.376 1.359 0.50 0.00 H new ATOM 0 HD12 ILE A 15 10.238 7.363 2.813 0.50 0.00 H new ATOM 0 HD13 ILE A 15 8.900 7.460 1.643 0.50 0.00 H new ATOM 251 N PRO A 16 5.330 10.508 4.535 0.50 0.00 N ATOM 252 CA PRO A 16 3.880 10.449 4.846 0.50 0.00 C ATOM 253 C PRO A 16 3.270 9.147 4.319 0.50 0.00 C ATOM 254 O PRO A 16 2.336 9.160 3.540 0.50 0.00 O ATOM 255 CB PRO A 16 3.306 11.658 4.112 0.50 0.00 C ATOM 256 CG PRO A 16 4.265 11.932 2.998 0.50 0.00 C ATOM 257 CD PRO A 16 5.622 11.455 3.449 0.50 0.00 C ATOM 0 HA PRO A 16 3.671 10.468 5.916 0.50 0.00 H new ATOM 0 HB2 PRO A 16 2.307 11.448 3.729 0.50 0.00 H new ATOM 0 HB3 PRO A 16 3.219 12.517 4.777 0.50 0.00 H new ATOM 0 HG2 PRO A 16 3.958 11.414 2.090 0.50 0.00 H new ATOM 0 HG3 PRO A 16 4.290 12.996 2.765 0.50 0.00 H new ATOM 0 HD2 PRO A 16 6.165 10.973 2.636 0.50 0.00 H new ATOM 0 HD3 PRO A 16 6.239 12.283 3.798 0.50 0.00 H new ATOM 265 N ASP A 17 3.792 8.025 4.736 0.50 0.00 N ATOM 266 CA ASP A 17 3.242 6.720 4.256 0.50 0.00 C ATOM 267 C ASP A 17 1.892 6.431 4.919 0.50 0.00 C ATOM 268 O ASP A 17 1.789 5.638 5.832 0.50 0.00 O ATOM 269 CB ASP A 17 4.279 5.666 4.669 0.50 0.00 C ATOM 270 CG ASP A 17 4.674 5.859 6.140 0.50 0.00 C ATOM 271 OD1 ASP A 17 3.825 5.677 6.994 0.50 0.00 O ATOM 272 OD2 ASP A 17 5.822 6.191 6.383 0.50 0.00 O ATOM 0 H ASP A 17 4.574 7.953 5.387 0.50 0.00 H new ATOM 0 HA ASP A 17 3.072 6.723 3.179 0.50 0.00 H new ATOM 0 HB2 ASP A 17 3.870 4.666 4.523 0.50 0.00 H new ATOM 0 HB3 ASP A 17 5.162 5.745 4.034 0.50 0.00 H new ATOM 277 N THR A 18 0.849 7.057 4.448 0.50 0.00 N ATOM 278 CA THR A 18 -0.503 6.811 5.030 0.50 0.00 C ATOM 279 C THR A 18 -1.541 6.784 3.911 0.50 0.00 C ATOM 280 O THR A 18 -1.756 7.769 3.233 0.50 0.00 O ATOM 281 CB THR A 18 -0.762 7.982 5.980 0.50 0.00 C ATOM 282 OG1 THR A 18 0.471 8.441 6.520 0.50 0.00 O ATOM 283 CG2 THR A 18 -1.676 7.518 7.114 0.50 0.00 C ATOM 0 H THR A 18 0.874 7.731 3.683 0.50 0.00 H new ATOM 0 HA THR A 18 -0.562 5.857 5.555 0.50 0.00 H new ATOM 0 HB THR A 18 -1.240 8.796 5.434 0.50 0.00 H new ATOM 0 HG1 THR A 18 0.303 9.192 7.127 0.50 0.00 H new ATOM 0 HG21 THR A 18 -1.863 8.349 7.794 0.50 0.00 H new ATOM 0 HG22 THR A 18 -2.621 7.168 6.699 0.50 0.00 H new ATOM 0 HG23 THR A 18 -1.196 6.705 7.659 0.50 0.00 H new ATOM 291 N ILE A 19 -2.176 5.665 3.699 0.50 0.00 N ATOM 292 CA ILE A 19 -3.182 5.590 2.611 0.50 0.00 C ATOM 293 C ILE A 19 -4.601 5.579 3.186 0.50 0.00 C ATOM 294 O ILE A 19 -4.961 4.731 3.975 0.50 0.00 O ATOM 295 CB ILE A 19 -2.849 4.281 1.879 0.50 0.00 C ATOM 296 CG1 ILE A 19 -1.837 4.566 0.766 0.50 0.00 C ATOM 297 CG2 ILE A 19 -4.109 3.674 1.267 0.50 0.00 C ATOM 298 CD1 ILE A 19 -2.390 5.647 -0.169 0.50 0.00 C ATOM 0 H ILE A 19 -2.041 4.805 4.231 0.50 0.00 H new ATOM 0 HA ILE A 19 -3.148 6.448 1.940 0.50 0.00 H new ATOM 0 HB ILE A 19 -2.429 3.576 2.596 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -0.891 4.893 1.197 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -1.633 3.655 0.204 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -3.854 2.748 0.753 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -4.832 3.464 2.056 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -4.543 4.377 0.555 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -1.668 5.848 -0.960 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -3.325 5.303 -0.610 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -2.571 6.560 0.398 0.50 0.00 H new ATOM 310 N VAL A 20 -5.410 6.516 2.778 0.50 0.00 N ATOM 311 CA VAL A 20 -6.808 6.566 3.282 0.50 0.00 C ATOM 312 C VAL A 20 -7.776 6.634 2.102 0.50 0.00 C ATOM 313 O VAL A 20 -7.454 7.158 1.053 0.50 0.00 O ATOM 314 CB VAL A 20 -6.890 7.839 4.121 0.50 0.00 C ATOM 315 CG1 VAL A 20 -8.300 7.972 4.693 0.50 0.00 C ATOM 316 CG2 VAL A 20 -5.880 7.762 5.269 0.50 0.00 C ATOM 0 H VAL A 20 -5.162 7.251 2.116 0.50 0.00 H new ATOM 0 HA VAL A 20 -7.072 5.685 3.868 0.50 0.00 H new ATOM 0 HB VAL A 20 -6.662 8.704 3.497 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -8.365 8.879 5.293 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -9.020 8.025 3.877 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -8.522 7.107 5.318 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -5.939 8.671 5.867 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -6.107 6.900 5.896 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -4.874 7.660 4.862 0.50 0.00 H new ATOM 326 N VAL A 21 -8.953 6.100 2.260 0.50 0.00 N ATOM 327 CA VAL A 21 -9.936 6.123 1.142 0.50 0.00 C ATOM 328 C VAL A 21 -11.365 6.124 1.688 0.50 0.00 C ATOM 329 O VAL A 21 -11.610 5.735 2.813 0.50 0.00 O ATOM 330 CB VAL A 21 -9.660 4.841 0.357 0.50 0.00 C ATOM 331 CG1 VAL A 21 -9.814 3.631 1.283 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.653 4.729 -0.804 0.50 0.00 C ATOM 0 H VAL A 21 -9.278 5.648 3.115 0.50 0.00 H new ATOM 0 HA VAL A 21 -9.839 7.014 0.522 0.50 0.00 H new ATOM 0 HB VAL A 21 -8.644 4.868 -0.037 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -9.617 2.717 0.723 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -9.105 3.711 2.107 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -10.829 3.603 1.679 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -10.456 3.815 -1.364 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -11.670 4.703 -0.412 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -10.540 5.590 -1.463 0.50 0.00 H new ATOM 342 N VAL A 22 -12.308 6.551 0.894 0.50 0.00 N ATOM 343 CA VAL A 22 -13.722 6.568 1.365 0.50 0.00 C ATOM 344 C VAL A 22 -14.439 5.301 0.895 0.50 0.00 C ATOM 345 O VAL A 22 -15.490 5.356 0.285 0.50 0.00 O ATOM 346 CB VAL A 22 -14.344 7.814 0.731 0.50 0.00 C ATOM 347 CG1 VAL A 22 -15.804 7.936 1.169 0.50 0.00 C ATOM 348 CG2 VAL A 22 -13.573 9.056 1.185 0.50 0.00 C ATOM 0 H VAL A 22 -12.162 6.888 -0.058 0.50 0.00 H new ATOM 0 HA VAL A 22 -13.799 6.595 2.452 0.50 0.00 H new ATOM 0 HB VAL A 22 -14.295 7.730 -0.355 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -16.246 8.824 0.717 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -16.355 7.052 0.848 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -15.852 8.019 2.255 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -14.015 9.944 0.734 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -13.622 9.138 2.271 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -12.532 8.972 0.874 0.50 0.00 H new ATOM 358 N ALA A 23 -13.872 4.161 1.185 0.50 0.00 N ATOM 359 CA ALA A 23 -14.492 2.862 0.776 0.50 0.00 C ATOM 360 C ALA A 23 -14.993 2.911 -0.674 0.50 0.00 C ATOM 361 O ALA A 23 -16.173 3.047 -0.928 0.50 0.00 O ATOM 362 CB ALA A 23 -15.657 2.662 1.744 0.50 0.00 C ATOM 0 H ALA A 23 -12.993 4.071 1.695 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.774 2.043 0.816 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -16.167 1.727 1.511 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -15.279 2.624 2.766 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -16.357 3.491 1.647 0.50 0.00 H new ATOM 368 N GLY A 24 -14.102 2.785 -1.624 0.50 0.00 N ATOM 369 CA GLY A 24 -14.524 2.807 -3.055 0.50 0.00 C ATOM 370 C GLY A 24 -14.382 4.219 -3.628 0.50 0.00 C ATOM 371 O GLY A 24 -15.295 4.741 -4.239 0.50 0.00 O ATOM 0 H GLY A 24 -13.101 2.668 -1.470 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -13.916 2.110 -3.632 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -15.558 2.474 -3.142 0.50 0.00 H new ATOM 375 N ASN A 25 -13.246 4.840 -3.448 0.50 0.00 N ATOM 376 CA ASN A 25 -13.055 6.215 -3.997 0.50 0.00 C ATOM 377 C ASN A 25 -11.648 6.361 -4.581 0.50 0.00 C ATOM 378 O ASN A 25 -10.755 5.596 -4.272 0.50 0.00 O ATOM 379 CB ASN A 25 -13.243 7.152 -2.805 0.50 0.00 C ATOM 380 CG ASN A 25 -14.680 7.677 -2.790 0.50 0.00 C ATOM 381 OD1 ASN A 25 -15.608 6.950 -3.082 0.50 0.00 O ATOM 382 ND2 ASN A 25 -14.904 8.919 -2.458 0.50 0.00 N ATOM 0 H ASN A 25 -12.445 4.456 -2.947 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.756 6.438 -4.801 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -13.028 6.624 -1.876 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.541 7.984 -2.868 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -15.858 9.279 -2.444 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -14.125 9.530 -2.213 0.50 0.00 H new ATOM 389 N LYS A 26 -11.445 7.342 -5.418 0.50 0.00 N ATOM 390 CA LYS A 26 -10.094 7.544 -6.019 0.50 0.00 C ATOM 391 C LYS A 26 -9.094 7.932 -4.928 0.50 0.00 C ATOM 392 O LYS A 26 -9.285 8.900 -4.218 0.50 0.00 O ATOM 393 CB LYS A 26 -10.268 8.688 -7.019 0.50 0.00 C ATOM 394 CG LYS A 26 -10.652 8.120 -8.389 0.50 0.00 C ATOM 395 CD LYS A 26 -11.904 8.832 -8.909 0.50 0.00 C ATOM 396 CE LYS A 26 -11.879 8.857 -10.439 0.50 0.00 C ATOM 397 NZ LYS A 26 -11.981 7.430 -10.848 0.50 0.00 N ATOM 0 H LYS A 26 -12.155 8.012 -5.712 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.714 6.643 -6.500 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -11.039 9.375 -6.670 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -9.343 9.260 -7.097 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -9.829 8.251 -9.092 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -10.837 7.049 -8.311 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -12.799 8.319 -8.558 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -11.945 9.849 -8.519 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -12.707 9.442 -10.838 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -10.960 9.310 -10.812 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -12.565 7.355 -11.705 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -11.030 7.056 -11.044 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -12.419 6.880 -10.082 0.50 0.00 H new ATOM 411 N LEU A 27 -8.036 7.181 -4.781 0.50 0.00 N ATOM 412 CA LEU A 27 -7.036 7.506 -3.725 0.50 0.00 C ATOM 413 C LEU A 27 -5.650 7.726 -4.347 0.50 0.00 C ATOM 414 O LEU A 27 -5.226 6.997 -5.223 0.50 0.00 O ATOM 415 CB LEU A 27 -7.057 6.285 -2.792 0.50 0.00 C ATOM 416 CG LEU A 27 -5.676 6.050 -2.167 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.256 7.281 -1.357 0.50 0.00 C ATOM 418 CD2 LEU A 27 -5.743 4.831 -1.246 0.50 0.00 C ATOM 0 H LEU A 27 -7.822 6.359 -5.345 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.267 8.426 -3.189 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -7.796 6.436 -2.005 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.363 5.401 -3.351 0.50 0.00 H new ATOM 0 HG LEU A 27 -4.945 5.876 -2.956 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.275 7.108 -0.915 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -5.211 8.150 -2.013 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -5.983 7.461 -0.565 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -4.764 4.659 -0.799 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.475 5.010 -0.459 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -6.037 3.955 -1.823 0.50 0.00 H new ATOM 430 N ARG A 28 -4.942 8.723 -3.885 0.50 0.00 N ATOM 431 CA ARG A 28 -3.579 9.001 -4.426 0.50 0.00 C ATOM 432 C ARG A 28 -2.611 9.248 -3.266 0.50 0.00 C ATOM 433 O ARG A 28 -2.993 9.756 -2.229 0.50 0.00 O ATOM 434 CB ARG A 28 -3.737 10.263 -5.275 0.50 0.00 C ATOM 435 CG ARG A 28 -2.400 10.603 -5.940 0.50 0.00 C ATOM 436 CD ARG A 28 -2.221 12.123 -5.990 0.50 0.00 C ATOM 437 NE ARG A 28 -2.289 12.472 -7.435 0.50 0.00 N ATOM 438 CZ ARG A 28 -1.282 13.073 -8.009 0.50 0.00 C ATOM 439 NH1 ARG A 28 -1.312 14.365 -8.195 0.50 0.00 N ATOM 440 NH2 ARG A 28 -0.246 12.381 -8.397 0.50 0.00 N ATOM 0 H ARG A 28 -5.252 9.361 -3.151 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.181 8.172 -5.011 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -4.504 10.110 -6.034 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -4.067 11.094 -4.652 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -1.580 10.149 -5.384 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -2.369 10.190 -6.948 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -3.002 12.631 -5.424 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -1.267 12.422 -5.556 0.50 0.00 H new ATOM 0 HE ARG A 28 -3.122 12.242 -7.977 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -2.122 14.905 -7.892 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -0.525 14.834 -8.643 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -0.223 11.372 -8.252 0.50 0.00 H new ATOM 0 HH22 ARG A 28 0.541 12.849 -8.846 0.50 0.00 H new ATOM 454 N LEU A 29 -1.364 8.888 -3.423 0.50 0.00 N ATOM 455 CA LEU A 29 -0.387 9.100 -2.314 0.50 0.00 C ATOM 456 C LEU A 29 0.982 9.486 -2.877 0.50 0.00 C ATOM 457 O LEU A 29 1.484 8.859 -3.788 0.50 0.00 O ATOM 458 CB LEU A 29 -0.326 7.749 -1.602 0.50 0.00 C ATOM 459 CG LEU A 29 0.799 7.747 -0.562 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.530 8.824 0.494 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.872 6.373 0.114 0.50 0.00 C ATOM 0 H LEU A 29 -0.981 8.459 -4.266 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.679 9.907 -1.642 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.280 7.543 -1.116 0.50 0.00 H new ATOM 0 HB3 LEU A 29 -0.160 6.954 -2.329 0.50 0.00 H new ATOM 0 HG LEU A 29 1.746 7.958 -1.058 0.50 0.00 H new ATOM 0 HD11 LEU A 29 1.333 8.819 1.232 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.485 9.801 0.014 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.419 8.619 0.989 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.673 6.373 0.853 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.077 6.159 0.606 0.50 0.00 H new ATOM 0 HD23 LEU A 29 1.072 5.608 -0.637 0.50 0.00 H new ATOM 473 N ASP A 30 1.587 10.513 -2.340 0.50 0.00 N ATOM 474 CA ASP A 30 2.922 10.942 -2.844 0.50 0.00 C ATOM 475 C ASP A 30 3.916 11.081 -1.687 0.50 0.00 C ATOM 476 O ASP A 30 3.867 12.024 -0.922 0.50 0.00 O ATOM 477 CB ASP A 30 2.676 12.300 -3.502 0.50 0.00 C ATOM 478 CG ASP A 30 3.755 12.562 -4.555 0.50 0.00 C ATOM 479 OD1 ASP A 30 4.171 11.612 -5.197 0.50 0.00 O ATOM 480 OD2 ASP A 30 4.147 13.708 -4.700 0.50 0.00 O ATOM 0 H ASP A 30 1.213 11.073 -1.574 0.50 0.00 H new ATOM 0 HA ASP A 30 3.349 10.218 -3.538 0.50 0.00 H new ATOM 0 HB2 ASP A 30 1.689 12.318 -3.965 0.50 0.00 H new ATOM 0 HB3 ASP A 30 2.689 13.088 -2.749 0.50 0.00 H new ATOM 485 N VAL A 31 4.828 10.152 -1.563 0.50 0.00 N ATOM 486 CA VAL A 31 5.838 10.233 -0.465 0.50 0.00 C ATOM 487 C VAL A 31 7.231 10.484 -1.067 0.50 0.00 C ATOM 488 O VAL A 31 7.644 9.794 -1.977 0.50 0.00 O ATOM 489 CB VAL A 31 5.775 8.877 0.253 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.427 8.742 0.966 0.50 0.00 C ATOM 491 CG2 VAL A 31 5.926 7.736 -0.757 0.50 0.00 C ATOM 0 H VAL A 31 4.917 9.341 -2.174 0.50 0.00 H new ATOM 0 HA VAL A 31 5.639 11.049 0.230 0.50 0.00 H new ATOM 0 HB VAL A 31 6.587 8.823 0.978 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.380 7.780 1.476 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.319 9.545 1.695 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.621 8.805 0.235 0.50 0.00 H new ATOM 0 HG21 VAL A 31 5.880 6.780 -0.236 0.50 0.00 H new ATOM 0 HG22 VAL A 31 5.120 7.789 -1.489 0.50 0.00 H new ATOM 0 HG23 VAL A 31 6.886 7.825 -1.266 0.50 0.00 H new ATOM 501 N PRO A 32 7.905 11.488 -0.555 0.50 0.00 N ATOM 502 CA PRO A 32 9.246 11.841 -1.076 0.50 0.00 C ATOM 503 C PRO A 32 10.333 10.935 -0.488 0.50 0.00 C ATOM 504 O PRO A 32 10.267 10.527 0.654 0.50 0.00 O ATOM 505 CB PRO A 32 9.440 13.279 -0.612 0.50 0.00 C ATOM 506 CG PRO A 32 8.566 13.435 0.597 0.50 0.00 C ATOM 507 CD PRO A 32 7.490 12.378 0.536 0.50 0.00 C ATOM 0 HA PRO A 32 9.317 11.722 -2.157 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.484 13.475 -0.368 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.157 13.984 -1.393 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.154 13.328 1.508 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.122 14.430 0.620 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.411 11.838 1.480 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.513 12.818 0.338 0.50 0.00 H new ATOM 515 N ILE A 33 11.340 10.635 -1.267 0.50 0.00 N ATOM 516 CA ILE A 33 12.453 9.770 -0.769 0.50 0.00 C ATOM 517 C ILE A 33 13.754 10.142 -1.479 0.50 0.00 C ATOM 518 O ILE A 33 13.800 11.077 -2.255 0.50 0.00 O ATOM 519 CB ILE A 33 12.076 8.315 -1.101 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.618 8.213 -1.574 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.264 7.462 0.152 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.313 6.775 -2.005 0.50 0.00 C ATOM 0 H ILE A 33 11.440 10.953 -2.231 0.50 0.00 H new ATOM 0 HA ILE A 33 12.599 9.900 0.303 0.50 0.00 H new ATOM 0 HB ILE A 33 12.719 7.961 -1.907 0.50 0.00 H new ATOM 0 HG12 ILE A 33 9.944 8.513 -0.772 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.447 8.896 -2.406 0.50 0.00 H new ATOM 0 HG21 ILE A 33 12.000 6.428 -0.069 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.305 7.511 0.472 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.621 7.838 0.948 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.278 6.707 -2.340 0.50 0.00 H new ATOM 0 HD12 ILE A 33 10.978 6.491 -2.821 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.466 6.102 -1.161 0.50 0.00 H new ATOM 534 N SER A 34 14.811 9.415 -1.228 0.50 0.00 N ATOM 535 CA SER A 34 16.105 9.731 -1.904 0.50 0.00 C ATOM 536 C SER A 34 16.308 8.794 -3.105 0.50 0.00 C ATOM 537 O SER A 34 15.390 8.545 -3.860 0.50 0.00 O ATOM 538 CB SER A 34 17.171 9.511 -0.833 0.50 0.00 C ATOM 539 OG SER A 34 18.459 9.708 -1.402 0.50 0.00 O ATOM 0 H SER A 34 14.835 8.621 -0.588 0.50 0.00 H new ATOM 0 HA SER A 34 16.143 10.747 -2.296 0.50 0.00 H new ATOM 0 HB2 SER A 34 17.018 10.202 -0.004 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.091 8.503 -0.426 0.50 0.00 H new ATOM 0 HG SER A 34 19.040 8.956 -1.164 0.50 0.00 H new ATOM 545 N GLY A 35 17.496 8.273 -3.293 0.50 0.00 N ATOM 546 CA GLY A 35 17.734 7.358 -4.444 0.50 0.00 C ATOM 547 C GLY A 35 18.259 8.156 -5.638 0.50 0.00 C ATOM 548 O GLY A 35 17.709 9.176 -6.006 0.50 0.00 O ATOM 0 H GLY A 35 18.307 8.443 -2.699 0.50 0.00 H new ATOM 0 HA2 GLY A 35 18.453 6.587 -4.165 0.50 0.00 H new ATOM 0 HA3 GLY A 35 16.809 6.849 -4.713 0.50 0.00 H new ATOM 552 N ASP A 36 19.318 7.697 -6.247 0.50 0.00 N ATOM 553 CA ASP A 36 19.886 8.422 -7.420 0.50 0.00 C ATOM 554 C ASP A 36 20.439 7.415 -8.443 0.50 0.00 C ATOM 555 O ASP A 36 21.382 6.711 -8.147 0.50 0.00 O ATOM 556 CB ASP A 36 21.017 9.276 -6.845 0.50 0.00 C ATOM 557 CG ASP A 36 21.035 10.639 -7.539 0.50 0.00 C ATOM 558 OD1 ASP A 36 20.016 11.309 -7.510 0.50 0.00 O ATOM 559 OD2 ASP A 36 22.067 10.990 -8.087 0.50 0.00 O ATOM 0 H ASP A 36 19.817 6.848 -5.982 0.50 0.00 H new ATOM 0 HA ASP A 36 19.140 9.027 -7.936 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.879 9.405 -5.772 0.50 0.00 H new ATOM 0 HB3 ASP A 36 21.974 8.773 -6.985 0.50 0.00 H new ATOM 564 N PRO A 37 19.841 7.363 -9.614 0.50 0.00 N ATOM 565 CA PRO A 37 18.686 8.239 -9.958 0.50 0.00 C ATOM 566 C PRO A 37 17.432 7.822 -9.181 0.50 0.00 C ATOM 567 O PRO A 37 16.876 8.597 -8.428 0.50 0.00 O ATOM 568 CB PRO A 37 18.500 8.018 -11.457 0.50 0.00 C ATOM 569 CG PRO A 37 19.094 6.675 -11.730 0.50 0.00 C ATOM 570 CD PRO A 37 20.197 6.471 -10.726 0.50 0.00 C ATOM 0 HA PRO A 37 18.857 9.285 -9.704 0.50 0.00 H new ATOM 0 HB2 PRO A 37 17.445 8.046 -11.732 0.50 0.00 H new ATOM 0 HB3 PRO A 37 19.000 8.795 -12.035 0.50 0.00 H new ATOM 0 HG2 PRO A 37 18.340 5.894 -11.639 0.50 0.00 H new ATOM 0 HG3 PRO A 37 19.483 6.625 -12.747 0.50 0.00 H new ATOM 0 HD2 PRO A 37 20.253 5.432 -10.401 0.50 0.00 H new ATOM 0 HD3 PRO A 37 21.170 6.726 -11.146 0.50 0.00 H new ATOM 578 N ALA A 38 16.981 6.611 -9.362 0.50 0.00 N ATOM 579 CA ALA A 38 15.758 6.158 -8.635 0.50 0.00 C ATOM 580 C ALA A 38 16.072 4.935 -7.760 0.50 0.00 C ATOM 581 O ALA A 38 16.725 4.011 -8.203 0.50 0.00 O ATOM 582 CB ALA A 38 14.761 5.787 -9.732 0.50 0.00 C ATOM 0 H ALA A 38 17.403 5.917 -9.979 0.50 0.00 H new ATOM 0 HA ALA A 38 15.369 6.929 -7.969 0.50 0.00 H new ATOM 0 HB1 ALA A 38 13.832 5.443 -9.278 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.560 6.661 -10.352 0.50 0.00 H new ATOM 0 HB3 ALA A 38 15.179 4.992 -10.350 0.50 0.00 H new ATOM 588 N PRO A 39 15.589 4.969 -6.542 0.50 0.00 N ATOM 589 CA PRO A 39 15.820 3.847 -5.604 0.50 0.00 C ATOM 590 C PRO A 39 14.818 2.723 -5.869 0.50 0.00 C ATOM 591 O PRO A 39 14.142 2.706 -6.880 0.50 0.00 O ATOM 592 CB PRO A 39 15.565 4.467 -4.235 0.50 0.00 C ATOM 593 CG PRO A 39 14.643 5.623 -4.484 0.50 0.00 C ATOM 594 CD PRO A 39 14.796 6.041 -5.927 0.50 0.00 C ATOM 0 HA PRO A 39 16.815 3.411 -5.697 0.50 0.00 H new ATOM 0 HB2 PRO A 39 15.114 3.745 -3.555 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.496 4.799 -3.775 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.611 5.339 -4.277 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.884 6.453 -3.819 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.827 6.146 -6.414 0.50 0.00 H new ATOM 0 HD3 PRO A 39 15.300 7.004 -6.009 0.50 0.00 H new ATOM 602 N THR A 40 14.704 1.795 -4.959 0.50 0.00 N ATOM 603 CA THR A 40 13.731 0.681 -5.147 0.50 0.00 C ATOM 604 C THR A 40 12.750 0.663 -3.975 0.50 0.00 C ATOM 605 O THR A 40 12.948 -0.032 -2.997 0.50 0.00 O ATOM 606 CB THR A 40 14.569 -0.600 -5.163 0.50 0.00 C ATOM 607 OG1 THR A 40 15.891 -0.304 -5.592 0.50 0.00 O ATOM 608 CG2 THR A 40 13.936 -1.611 -6.120 0.50 0.00 C ATOM 0 H THR A 40 15.242 1.760 -4.093 0.50 0.00 H new ATOM 0 HA THR A 40 13.151 0.786 -6.064 0.50 0.00 H new ATOM 0 HB THR A 40 14.603 -1.021 -4.158 0.50 0.00 H new ATOM 0 HG1 THR A 40 16.369 0.166 -4.877 0.50 0.00 H new ATOM 0 HG21 THR A 40 14.532 -2.523 -6.132 0.50 0.00 H new ATOM 0 HG22 THR A 40 12.924 -1.843 -5.787 0.50 0.00 H new ATOM 0 HG23 THR A 40 13.900 -1.188 -7.124 0.50 0.00 H new ATOM 616 N VAL A 41 11.695 1.424 -4.067 0.50 0.00 N ATOM 617 CA VAL A 41 10.696 1.457 -2.959 0.50 0.00 C ATOM 618 C VAL A 41 9.637 0.370 -3.178 0.50 0.00 C ATOM 619 O VAL A 41 8.754 0.501 -4.002 0.50 0.00 O ATOM 620 CB VAL A 41 10.083 2.861 -3.020 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.415 3.087 -4.381 0.50 0.00 C ATOM 622 CG2 VAL A 41 9.037 3.009 -1.914 0.50 0.00 C ATOM 0 H VAL A 41 11.480 2.026 -4.862 0.50 0.00 H new ATOM 0 HA VAL A 41 11.140 1.262 -1.983 0.50 0.00 H new ATOM 0 HB VAL A 41 10.874 3.599 -2.883 0.50 0.00 H new ATOM 0 HG11 VAL A 41 8.983 4.087 -4.413 0.50 0.00 H new ATOM 0 HG12 VAL A 41 10.158 2.987 -5.172 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.628 2.347 -4.527 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.601 4.007 -1.957 0.50 0.00 H new ATOM 0 HG22 VAL A 41 8.253 2.264 -2.052 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.510 2.861 -0.943 0.50 0.00 H new ATOM 632 N ILE A 42 9.738 -0.711 -2.452 0.50 0.00 N ATOM 633 CA ILE A 42 8.764 -1.826 -2.615 0.50 0.00 C ATOM 634 C ILE A 42 7.619 -1.710 -1.599 0.50 0.00 C ATOM 635 O ILE A 42 7.798 -1.963 -0.425 0.50 0.00 O ATOM 636 CB ILE A 42 9.590 -3.086 -2.345 0.50 0.00 C ATOM 637 CG1 ILE A 42 10.560 -3.322 -3.504 0.50 0.00 C ATOM 638 CG2 ILE A 42 8.666 -4.295 -2.204 0.50 0.00 C ATOM 639 CD1 ILE A 42 11.876 -2.586 -3.236 0.50 0.00 C ATOM 0 H ILE A 42 10.459 -0.869 -1.748 0.50 0.00 H new ATOM 0 HA ILE A 42 8.298 -1.827 -3.601 0.50 0.00 H new ATOM 0 HB ILE A 42 10.151 -2.952 -1.420 0.50 0.00 H new ATOM 0 HG12 ILE A 42 10.747 -4.389 -3.622 0.50 0.00 H new ATOM 0 HG13 ILE A 42 10.119 -2.970 -4.437 0.50 0.00 H new ATOM 0 HG21 ILE A 42 9.261 -5.188 -2.012 0.50 0.00 H new ATOM 0 HG22 ILE A 42 7.978 -4.132 -1.374 0.50 0.00 H new ATOM 0 HG23 ILE A 42 8.099 -4.429 -3.125 0.50 0.00 H new ATOM 0 HD11 ILE A 42 12.564 -2.757 -4.064 0.50 0.00 H new ATOM 0 HD12 ILE A 42 11.682 -1.518 -3.140 0.50 0.00 H new ATOM 0 HD13 ILE A 42 12.320 -2.959 -2.313 0.50 0.00 H new ATOM 651 N TRP A 43 6.440 -1.354 -2.045 0.50 0.00 N ATOM 652 CA TRP A 43 5.288 -1.253 -1.099 0.50 0.00 C ATOM 653 C TRP A 43 4.876 -2.661 -0.655 0.50 0.00 C ATOM 654 O TRP A 43 4.229 -3.383 -1.390 0.50 0.00 O ATOM 655 CB TRP A 43 4.154 -0.607 -1.900 0.50 0.00 C ATOM 656 CG TRP A 43 4.453 0.837 -2.152 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.807 1.356 -3.350 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.421 1.956 -1.216 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.994 2.718 -3.212 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.772 3.136 -1.915 0.50 0.00 C ATOM 661 CE3 TRP A 43 4.130 2.062 0.157 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.829 4.376 -1.276 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.190 3.303 0.804 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.539 4.461 0.090 0.50 0.00 C ATOM 0 H TRP A 43 6.227 -1.130 -3.017 0.50 0.00 H new ATOM 0 HA TRP A 43 5.533 -0.673 -0.209 0.50 0.00 H new ATOM 0 HB2 TRP A 43 4.026 -1.130 -2.848 0.50 0.00 H new ATOM 0 HB3 TRP A 43 3.215 -0.701 -1.355 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.924 0.796 -4.266 0.50 0.00 H new ATOM 0 HE1 TRP A 43 5.263 3.339 -3.975 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.858 1.179 0.716 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 5.095 5.263 -1.832 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 3.966 3.370 1.859 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.583 5.415 0.594 0.50 0.00 H new ATOM 675 N GLN A 44 5.246 -3.064 0.531 0.50 0.00 N ATOM 676 CA GLN A 44 4.871 -4.432 1.001 0.50 0.00 C ATOM 677 C GLN A 44 3.481 -4.417 1.640 0.50 0.00 C ATOM 678 O GLN A 44 3.106 -3.477 2.312 0.50 0.00 O ATOM 679 CB GLN A 44 5.934 -4.807 2.034 0.50 0.00 C ATOM 680 CG GLN A 44 6.100 -6.329 2.070 0.50 0.00 C ATOM 681 CD GLN A 44 7.340 -6.726 1.264 0.50 0.00 C ATOM 682 OE1 GLN A 44 8.383 -6.115 1.392 0.50 0.00 O ATOM 683 NE2 GLN A 44 7.270 -7.730 0.435 0.50 0.00 N ATOM 0 H GLN A 44 5.789 -2.509 1.193 0.50 0.00 H new ATOM 0 HA GLN A 44 4.831 -5.148 0.180 0.50 0.00 H new ATOM 0 HB2 GLN A 44 6.883 -4.333 1.783 0.50 0.00 H new ATOM 0 HB3 GLN A 44 5.645 -4.439 3.018 0.50 0.00 H new ATOM 0 HG2 GLN A 44 6.198 -6.671 3.100 0.50 0.00 H new ATOM 0 HG3 GLN A 44 5.214 -6.812 1.657 0.50 0.00 H new ATOM 0 HE21 GLN A 44 6.395 -8.243 0.328 0.50 0.00 H new ATOM 0 HE22 GLN A 44 8.090 -8.003 -0.106 0.50 0.00 H new ATOM 692 N LYS A 45 2.716 -5.456 1.433 0.50 0.00 N ATOM 693 CA LYS A 45 1.347 -5.511 2.026 0.50 0.00 C ATOM 694 C LYS A 45 1.330 -6.478 3.214 0.50 0.00 C ATOM 695 O LYS A 45 1.753 -7.613 3.107 0.50 0.00 O ATOM 696 CB LYS A 45 0.445 -6.029 0.903 0.50 0.00 C ATOM 697 CG LYS A 45 0.560 -5.113 -0.318 0.50 0.00 C ATOM 698 CD LYS A 45 -0.614 -5.371 -1.264 0.50 0.00 C ATOM 699 CE LYS A 45 -0.226 -6.450 -2.278 0.50 0.00 C ATOM 700 NZ LYS A 45 -0.982 -6.104 -3.514 0.50 0.00 N ATOM 0 H LYS A 45 2.980 -6.270 0.878 0.50 0.00 H new ATOM 0 HA LYS A 45 1.017 -4.540 2.396 0.50 0.00 H new ATOM 0 HB2 LYS A 45 0.731 -7.046 0.634 0.50 0.00 H new ATOM 0 HB3 LYS A 45 -0.590 -6.068 1.244 0.50 0.00 H new ATOM 0 HG2 LYS A 45 0.564 -4.069 -0.003 0.50 0.00 H new ATOM 0 HG3 LYS A 45 1.503 -5.294 -0.834 0.50 0.00 H new ATOM 0 HD2 LYS A 45 -1.489 -5.688 -0.697 0.50 0.00 H new ATOM 0 HD3 LYS A 45 -0.886 -4.451 -1.782 0.50 0.00 H new ATOM 0 HE2 LYS A 45 0.849 -6.453 -2.460 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -0.491 -7.444 -1.918 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 -0.546 -6.576 -4.331 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 -1.968 -6.420 -3.417 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 -0.961 -5.074 -3.657 0.50 0.00 H new ATOM 714 N ALA A 46 0.843 -6.039 4.344 0.50 0.00 N ATOM 715 CA ALA A 46 0.799 -6.934 5.536 0.50 0.00 C ATOM 716 C ALA A 46 -0.651 -7.254 5.906 0.50 0.00 C ATOM 717 O ALA A 46 -1.283 -6.539 6.657 0.50 0.00 O ATOM 718 CB ALA A 46 1.472 -6.140 6.654 0.50 0.00 C ATOM 0 H ALA A 46 0.474 -5.100 4.493 0.50 0.00 H new ATOM 0 HA ALA A 46 1.298 -7.886 5.354 0.50 0.00 H new ATOM 0 HB1 ALA A 46 1.479 -6.733 7.568 0.50 0.00 H new ATOM 0 HB2 ALA A 46 2.497 -5.904 6.367 0.50 0.00 H new ATOM 0 HB3 ALA A 46 0.921 -5.215 6.826 0.50 0.00 H new ATOM 724 N ILE A 47 -1.176 -8.329 5.386 0.50 0.00 N ATOM 725 CA ILE A 47 -2.583 -8.709 5.706 0.50 0.00 C ATOM 726 C ILE A 47 -2.600 -9.864 6.714 0.50 0.00 C ATOM 727 O ILE A 47 -3.602 -10.135 7.345 0.50 0.00 O ATOM 728 CB ILE A 47 -3.190 -9.150 4.372 0.50 0.00 C ATOM 729 CG1 ILE A 47 -3.130 -7.987 3.376 0.50 0.00 C ATOM 730 CG2 ILE A 47 -4.647 -9.562 4.583 0.50 0.00 C ATOM 731 CD1 ILE A 47 -3.463 -8.498 1.974 0.50 0.00 C ATOM 0 H ILE A 47 -0.691 -8.963 4.751 0.50 0.00 H new ATOM 0 HA ILE A 47 -3.142 -7.887 6.154 0.50 0.00 H new ATOM 0 HB ILE A 47 -2.627 -9.997 3.980 0.50 0.00 H new ATOM 0 HG12 ILE A 47 -3.835 -7.208 3.667 0.50 0.00 H new ATOM 0 HG13 ILE A 47 -2.137 -7.538 3.384 0.50 0.00 H new ATOM 0 HG21 ILE A 47 -5.078 -9.876 3.632 0.50 0.00 H new ATOM 0 HG22 ILE A 47 -4.692 -10.388 5.292 0.50 0.00 H new ATOM 0 HG23 ILE A 47 -5.211 -8.716 4.975 0.50 0.00 H new ATOM 0 HD11 ILE A 47 -3.420 -7.671 1.266 0.50 0.00 H new ATOM 0 HD12 ILE A 47 -2.741 -9.262 1.684 0.50 0.00 H new ATOM 0 HD13 ILE A 47 -4.465 -8.927 1.971 0.50 0.00 H new ATOM 743 N THR A 48 -1.494 -10.545 6.868 0.50 0.00 N ATOM 744 CA THR A 48 -1.436 -11.683 7.834 0.50 0.00 C ATOM 745 C THR A 48 -1.841 -11.219 9.238 0.50 0.00 C ATOM 746 O THR A 48 -2.263 -12.008 10.062 0.50 0.00 O ATOM 747 CB THR A 48 0.026 -12.142 7.823 0.50 0.00 C ATOM 748 OG1 THR A 48 0.205 -13.164 8.793 0.50 0.00 O ATOM 749 CG2 THR A 48 0.942 -10.959 8.148 0.50 0.00 C ATOM 0 H THR A 48 -0.626 -10.362 6.365 0.50 0.00 H new ATOM 0 HA THR A 48 -2.120 -12.486 7.559 0.50 0.00 H new ATOM 0 HB THR A 48 0.278 -12.528 6.835 0.50 0.00 H new ATOM 0 HG1 THR A 48 1.139 -13.461 8.787 0.50 0.00 H new ATOM 0 HG21 THR A 48 1.981 -11.290 8.139 0.50 0.00 H new ATOM 0 HG22 THR A 48 0.804 -10.176 7.402 0.50 0.00 H new ATOM 0 HG23 THR A 48 0.694 -10.567 9.135 0.50 0.00 H new ATOM 757 N GLN A 49 -1.717 -9.949 9.517 0.50 0.00 N ATOM 758 CA GLN A 49 -2.096 -9.441 10.868 0.50 0.00 C ATOM 759 C GLN A 49 -3.048 -8.247 10.739 0.50 0.00 C ATOM 760 O GLN A 49 -3.539 -7.947 9.667 0.50 0.00 O ATOM 761 CB GLN A 49 -0.775 -9.016 11.521 0.50 0.00 C ATOM 762 CG GLN A 49 -0.153 -7.855 10.737 0.50 0.00 C ATOM 763 CD GLN A 49 1.350 -8.090 10.578 0.50 0.00 C ATOM 764 OE1 GLN A 49 1.785 -9.205 10.372 0.50 0.00 O ATOM 765 NE2 GLN A 49 2.169 -7.077 10.665 0.50 0.00 N ATOM 0 H GLN A 49 -1.370 -9.242 8.869 0.50 0.00 H new ATOM 0 HA GLN A 49 -2.616 -10.194 11.461 0.50 0.00 H new ATOM 0 HB2 GLN A 49 -0.950 -8.716 12.554 0.50 0.00 H new ATOM 0 HB3 GLN A 49 -0.085 -9.859 11.547 0.50 0.00 H new ATOM 0 HG2 GLN A 49 -0.624 -7.771 9.757 0.50 0.00 H new ATOM 0 HG3 GLN A 49 -0.331 -6.914 11.258 0.50 0.00 H new ATOM 0 HE21 GLN A 49 1.805 -6.140 10.838 0.50 0.00 H new ATOM 0 HE22 GLN A 49 3.173 -7.222 10.560 0.50 0.00 H new ATOM 774 N GLY A 50 -3.311 -7.567 11.822 0.50 0.00 N ATOM 775 CA GLY A 50 -4.229 -6.394 11.764 0.50 0.00 C ATOM 776 C GLY A 50 -5.500 -6.700 12.560 0.50 0.00 C ATOM 777 O GLY A 50 -6.078 -5.831 13.182 0.50 0.00 O ATOM 0 H GLY A 50 -2.929 -7.773 12.745 0.50 0.00 H new ATOM 0 HA2 GLY A 50 -3.735 -5.512 12.172 0.50 0.00 H new ATOM 0 HA3 GLY A 50 -4.482 -6.167 10.728 0.50 0.00 H new ATOM 781 N ASN A 51 -5.939 -7.931 12.545 0.50 0.00 N ATOM 782 CA ASN A 51 -7.173 -8.294 13.300 0.50 0.00 C ATOM 783 C ASN A 51 -7.298 -9.817 13.412 0.50 0.00 C ATOM 784 O ASN A 51 -7.325 -10.369 14.495 0.50 0.00 O ATOM 785 CB ASN A 51 -8.327 -7.718 12.476 0.50 0.00 C ATOM 786 CG ASN A 51 -9.276 -6.945 13.394 0.50 0.00 C ATOM 787 OD1 ASN A 51 -9.075 -5.774 13.647 0.50 0.00 O ATOM 788 ND2 ASN A 51 -10.310 -7.555 13.905 0.50 0.00 N ATOM 0 H ASN A 51 -5.496 -8.700 12.042 0.50 0.00 H new ATOM 0 HA ASN A 51 -7.164 -7.902 14.317 0.50 0.00 H new ATOM 0 HB2 ASN A 51 -7.939 -7.059 11.699 0.50 0.00 H new ATOM 0 HB3 ASN A 51 -8.865 -8.522 11.973 0.50 0.00 H new ATOM 0 HD21 ASN A 51 -10.950 -7.049 14.517 0.50 0.00 H new ATOM 0 HD22 ASN A 51 -10.479 -8.538 13.692 0.50 0.00 H new ATOM 795 N LYS A 52 -7.377 -10.499 12.300 0.50 0.00 N ATOM 796 CA LYS A 52 -7.503 -11.985 12.341 0.50 0.00 C ATOM 797 C LYS A 52 -6.130 -12.633 12.531 0.50 0.00 C ATOM 798 O LYS A 52 -5.197 -12.013 13.004 0.50 0.00 O ATOM 799 CB LYS A 52 -8.107 -12.370 10.985 0.50 0.00 C ATOM 800 CG LYS A 52 -7.082 -12.136 9.868 0.50 0.00 C ATOM 801 CD LYS A 52 -7.724 -11.327 8.734 0.50 0.00 C ATOM 802 CE LYS A 52 -6.933 -10.035 8.513 0.50 0.00 C ATOM 803 NZ LYS A 52 -7.650 -9.329 7.416 0.50 0.00 N ATOM 0 H LYS A 52 -7.360 -10.091 11.365 0.50 0.00 H new ATOM 0 HA LYS A 52 -8.123 -12.324 13.171 0.50 0.00 H new ATOM 0 HB2 LYS A 52 -8.411 -13.417 10.997 0.50 0.00 H new ATOM 0 HB3 LYS A 52 -9.004 -11.780 10.796 0.50 0.00 H new ATOM 0 HG2 LYS A 52 -6.216 -11.603 10.262 0.50 0.00 H new ATOM 0 HG3 LYS A 52 -6.722 -13.091 9.487 0.50 0.00 H new ATOM 0 HD2 LYS A 52 -7.740 -11.917 7.817 0.50 0.00 H new ATOM 0 HD3 LYS A 52 -8.760 -11.093 8.981 0.50 0.00 H new ATOM 0 HE2 LYS A 52 -6.904 -9.430 9.419 0.50 0.00 H new ATOM 0 HE3 LYS A 52 -5.900 -10.247 8.237 0.50 0.00 H new ATOM 0 HZ1 LYS A 52 -7.167 -8.432 7.206 0.50 0.00 H new ATOM 0 HZ2 LYS A 52 -7.656 -9.926 6.565 0.50 0.00 H new ATOM 0 HZ3 LYS A 52 -8.629 -9.135 7.710 0.50 0.00 H new ATOM 817 N ALA A 53 -6.006 -13.877 12.163 0.50 0.00 N ATOM 818 CA ALA A 53 -4.700 -14.581 12.317 0.50 0.00 C ATOM 819 C ALA A 53 -4.286 -15.228 10.990 0.50 0.00 C ATOM 820 O ALA A 53 -5.064 -15.279 10.058 0.50 0.00 O ATOM 821 CB ALA A 53 -4.950 -15.652 13.380 0.50 0.00 C ATOM 0 H ALA A 53 -6.755 -14.440 11.760 0.50 0.00 H new ATOM 0 HA ALA A 53 -3.897 -13.902 12.603 0.50 0.00 H new ATOM 0 HB1 ALA A 53 -4.033 -16.216 13.551 0.50 0.00 H new ATOM 0 HB2 ALA A 53 -5.262 -15.176 14.310 0.50 0.00 H new ATOM 0 HB3 ALA A 53 -5.733 -16.328 13.038 0.50 0.00 H new ATOM 827 N PRO A 54 -3.066 -15.704 10.947 0.50 0.00 N ATOM 828 CA PRO A 54 -2.547 -16.354 9.719 0.50 0.00 C ATOM 829 C PRO A 54 -3.181 -17.737 9.538 0.50 0.00 C ATOM 830 O PRO A 54 -3.790 -18.274 10.441 0.50 0.00 O ATOM 831 CB PRO A 54 -1.049 -16.475 9.980 0.50 0.00 C ATOM 832 CG PRO A 54 -0.914 -16.484 11.469 0.50 0.00 C ATOM 833 CD PRO A 54 -2.065 -15.683 12.024 0.50 0.00 C ATOM 0 HA PRO A 54 -2.772 -15.794 8.811 0.50 0.00 H new ATOM 0 HB2 PRO A 54 -0.645 -17.387 9.542 0.50 0.00 H new ATOM 0 HB3 PRO A 54 -0.503 -15.641 9.539 0.50 0.00 H new ATOM 0 HG2 PRO A 54 -0.935 -17.504 11.851 0.50 0.00 H new ATOM 0 HG3 PRO A 54 0.039 -16.050 11.772 0.50 0.00 H new ATOM 0 HD2 PRO A 54 -2.455 -16.127 12.940 0.50 0.00 H new ATOM 0 HD3 PRO A 54 -1.762 -14.665 12.267 0.50 0.00 H new ATOM 841 N ALA A 55 -3.039 -18.317 8.373 0.50 0.00 N ATOM 842 CA ALA A 55 -3.630 -19.668 8.123 0.50 0.00 C ATOM 843 C ALA A 55 -5.111 -19.688 8.516 0.50 0.00 C ATOM 844 O ALA A 55 -5.456 -19.943 9.653 0.50 0.00 O ATOM 845 CB ALA A 55 -2.827 -20.626 9.006 0.50 0.00 C ATOM 0 H ALA A 55 -2.538 -17.912 7.582 0.50 0.00 H new ATOM 0 HA ALA A 55 -3.581 -19.946 7.070 0.50 0.00 H new ATOM 0 HB1 ALA A 55 -3.203 -21.641 8.877 0.50 0.00 H new ATOM 0 HB2 ALA A 55 -1.776 -20.589 8.720 0.50 0.00 H new ATOM 0 HB3 ALA A 55 -2.930 -20.331 10.050 0.50 0.00 H new ATOM 851 N ARG A 56 -5.985 -19.419 7.584 0.50 0.00 N ATOM 852 CA ARG A 56 -7.444 -19.420 7.904 0.50 0.00 C ATOM 853 C ARG A 56 -8.194 -20.365 6.958 0.50 0.00 C ATOM 854 O ARG A 56 -8.892 -19.926 6.066 0.50 0.00 O ATOM 855 CB ARG A 56 -7.900 -17.972 7.704 0.50 0.00 C ATOM 856 CG ARG A 56 -7.483 -17.479 6.315 0.50 0.00 C ATOM 857 CD ARG A 56 -8.458 -16.398 5.843 0.50 0.00 C ATOM 858 NE ARG A 56 -9.522 -17.131 5.103 0.50 0.00 N ATOM 859 CZ ARG A 56 -10.337 -16.482 4.318 0.50 0.00 C ATOM 860 NH1 ARG A 56 -11.620 -16.494 4.556 0.50 0.00 N ATOM 861 NH2 ARG A 56 -9.869 -15.820 3.296 0.50 0.00 N ATOM 0 H ARG A 56 -5.753 -19.199 6.615 0.50 0.00 H new ATOM 0 HA ARG A 56 -7.644 -19.768 8.918 0.50 0.00 H new ATOM 0 HB2 ARG A 56 -8.982 -17.904 7.813 0.50 0.00 H new ATOM 0 HB3 ARG A 56 -7.462 -17.335 8.472 0.50 0.00 H new ATOM 0 HG2 ARG A 56 -6.469 -17.080 6.348 0.50 0.00 H new ATOM 0 HG3 ARG A 56 -7.475 -18.310 5.610 0.50 0.00 H new ATOM 0 HD2 ARG A 56 -8.873 -15.846 6.686 0.50 0.00 H new ATOM 0 HD3 ARG A 56 -7.960 -15.671 5.201 0.50 0.00 H new ATOM 0 HE ARG A 56 -9.614 -18.141 5.210 0.50 0.00 H new ATOM 0 HH11 ARG A 56 -11.986 -17.011 5.356 0.50 0.00 H new ATOM 0 HH12 ARG A 56 -12.257 -15.987 3.942 0.50 0.00 H new ATOM 0 HH21 ARG A 56 -8.866 -15.810 3.111 0.50 0.00 H new ATOM 0 HH22 ARG A 56 -10.506 -15.312 2.682 0.50 0.00 H new ATOM 875 N PRO A 57 -8.024 -21.641 7.190 0.50 0.00 N ATOM 876 CA PRO A 57 -8.693 -22.662 6.351 0.50 0.00 C ATOM 877 C PRO A 57 -10.169 -22.782 6.737 0.50 0.00 C ATOM 878 O PRO A 57 -10.524 -22.723 7.898 0.50 0.00 O ATOM 879 CB PRO A 57 -7.937 -23.945 6.679 0.50 0.00 C ATOM 880 CG PRO A 57 -7.366 -23.731 8.046 0.50 0.00 C ATOM 881 CD PRO A 57 -7.200 -22.244 8.245 0.50 0.00 C ATOM 0 HA PRO A 57 -8.675 -22.425 5.287 0.50 0.00 H new ATOM 0 HB2 PRO A 57 -8.602 -24.808 6.662 0.50 0.00 H new ATOM 0 HB3 PRO A 57 -7.150 -24.135 5.949 0.50 0.00 H new ATOM 0 HG2 PRO A 57 -8.027 -24.147 8.806 0.50 0.00 H new ATOM 0 HG3 PRO A 57 -6.407 -24.240 8.144 0.50 0.00 H new ATOM 0 HD2 PRO A 57 -7.534 -21.936 9.236 0.50 0.00 H new ATOM 0 HD3 PRO A 57 -6.156 -21.945 8.154 0.50 0.00 H new ATOM 889 N ALA A 58 -11.032 -22.949 5.771 0.50 0.00 N ATOM 890 CA ALA A 58 -12.487 -23.072 6.080 0.50 0.00 C ATOM 891 C ALA A 58 -13.082 -24.287 5.358 0.50 0.00 C ATOM 892 O ALA A 58 -12.560 -24.724 4.352 0.50 0.00 O ATOM 893 CB ALA A 58 -13.113 -21.779 5.558 0.50 0.00 C ATOM 0 H ALA A 58 -10.793 -23.006 4.781 0.50 0.00 H new ATOM 0 HA ALA A 58 -12.672 -23.214 7.145 0.50 0.00 H new ATOM 0 HB1 ALA A 58 -14.186 -21.792 5.748 0.50 0.00 H new ATOM 0 HB2 ALA A 58 -12.664 -20.926 6.067 0.50 0.00 H new ATOM 0 HB3 ALA A 58 -12.935 -21.696 4.486 0.50 0.00 H new ATOM 899 N PRO A 59 -14.162 -24.793 5.897 0.50 0.00 N ATOM 900 CA PRO A 59 -14.833 -25.969 5.291 0.50 0.00 C ATOM 901 C PRO A 59 -15.559 -25.562 4.006 0.50 0.00 C ATOM 902 O PRO A 59 -16.602 -24.939 4.043 0.50 0.00 O ATOM 903 CB PRO A 59 -15.827 -26.408 6.362 0.50 0.00 C ATOM 904 CG PRO A 59 -16.095 -25.178 7.170 0.50 0.00 C ATOM 905 CD PRO A 59 -14.853 -24.327 7.107 0.50 0.00 C ATOM 0 HA PRO A 59 -14.140 -26.763 5.012 0.50 0.00 H new ATOM 0 HB2 PRO A 59 -16.743 -26.794 5.915 0.50 0.00 H new ATOM 0 HB3 PRO A 59 -15.414 -27.204 6.981 0.50 0.00 H new ATOM 0 HG2 PRO A 59 -16.954 -24.636 6.773 0.50 0.00 H new ATOM 0 HG3 PRO A 59 -16.331 -25.439 8.202 0.50 0.00 H new ATOM 0 HD2 PRO A 59 -15.099 -23.267 7.043 0.50 0.00 H new ATOM 0 HD3 PRO A 59 -14.234 -24.458 7.995 0.50 0.00 H new ATOM 913 N ASP A 60 -15.015 -25.910 2.871 0.50 0.00 N ATOM 914 CA ASP A 60 -15.672 -25.543 1.582 0.50 0.00 C ATOM 915 C ASP A 60 -15.344 -26.578 0.507 0.50 0.00 C ATOM 916 O ASP A 60 -14.545 -26.324 -0.371 0.50 0.00 O ATOM 917 CB ASP A 60 -15.077 -24.187 1.201 0.50 0.00 C ATOM 918 CG ASP A 60 -15.473 -23.139 2.243 0.50 0.00 C ATOM 919 OD1 ASP A 60 -16.634 -22.764 2.264 0.50 0.00 O ATOM 920 OD2 ASP A 60 -14.610 -22.731 3.001 0.50 0.00 O ATOM 0 H ASP A 60 -14.144 -26.433 2.780 0.50 0.00 H new ATOM 0 HA ASP A 60 -16.757 -25.505 1.675 0.50 0.00 H new ATOM 0 HB2 ASP A 60 -13.991 -24.260 1.139 0.50 0.00 H new ATOM 0 HB3 ASP A 60 -15.433 -23.887 0.216 0.50 0.00 H new ATOM 925 N ALA A 61 -15.955 -27.737 0.566 0.50 0.00 N ATOM 926 CA ALA A 61 -15.681 -28.795 -0.462 0.50 0.00 C ATOM 927 C ALA A 61 -15.641 -28.174 -1.865 0.50 0.00 C ATOM 928 O ALA A 61 -16.672 -27.926 -2.460 0.50 0.00 O ATOM 929 CB ALA A 61 -16.851 -29.772 -0.344 0.50 0.00 C ATOM 0 H ALA A 61 -16.633 -27.998 1.282 0.50 0.00 H new ATOM 0 HA ALA A 61 -14.721 -29.285 -0.304 0.50 0.00 H new ATOM 0 HB1 ALA A 61 -16.725 -30.579 -1.066 0.50 0.00 H new ATOM 0 HB2 ALA A 61 -16.878 -30.187 0.663 0.50 0.00 H new ATOM 0 HB3 ALA A 61 -17.785 -29.247 -0.546 0.50 0.00 H new ATOM 935 N PRO A 62 -14.447 -27.920 -2.340 0.50 0.00 N ATOM 936 CA PRO A 62 -14.271 -27.298 -3.664 0.50 0.00 C ATOM 937 C PRO A 62 -14.145 -28.369 -4.750 0.50 0.00 C ATOM 938 O PRO A 62 -13.298 -29.239 -4.683 0.50 0.00 O ATOM 939 CB PRO A 62 -12.965 -26.527 -3.498 0.50 0.00 C ATOM 940 CG PRO A 62 -12.206 -27.231 -2.405 0.50 0.00 C ATOM 941 CD PRO A 62 -13.153 -28.178 -1.704 0.50 0.00 C ATOM 0 HA PRO A 62 -15.107 -26.668 -3.968 0.50 0.00 H new ATOM 0 HB2 PRO A 62 -12.395 -26.520 -4.427 0.50 0.00 H new ATOM 0 HB3 PRO A 62 -13.156 -25.487 -3.233 0.50 0.00 H new ATOM 0 HG2 PRO A 62 -11.361 -27.779 -2.822 0.50 0.00 H new ATOM 0 HG3 PRO A 62 -11.800 -26.508 -1.698 0.50 0.00 H new ATOM 0 HD2 PRO A 62 -12.846 -29.216 -1.831 0.50 0.00 H new ATOM 0 HD3 PRO A 62 -13.190 -27.985 -0.632 0.50 0.00 H new ATOM 949 N GLU A 63 -14.982 -28.312 -5.752 0.50 0.00 N ATOM 950 CA GLU A 63 -14.912 -29.325 -6.846 0.50 0.00 C ATOM 951 C GLU A 63 -13.615 -29.155 -7.642 0.50 0.00 C ATOM 952 O GLU A 63 -13.048 -28.081 -7.700 0.50 0.00 O ATOM 953 CB GLU A 63 -16.131 -29.049 -7.732 0.50 0.00 C ATOM 954 CG GLU A 63 -16.085 -27.607 -8.247 0.50 0.00 C ATOM 955 CD GLU A 63 -17.018 -27.463 -9.452 0.50 0.00 C ATOM 956 OE1 GLU A 63 -18.017 -28.161 -9.490 0.50 0.00 O ATOM 957 OE2 GLU A 63 -16.716 -26.656 -10.316 0.50 0.00 O ATOM 0 H GLU A 63 -15.712 -27.607 -5.860 0.50 0.00 H new ATOM 0 HA GLU A 63 -14.917 -30.345 -6.462 0.50 0.00 H new ATOM 0 HB2 GLU A 63 -16.146 -29.744 -8.572 0.50 0.00 H new ATOM 0 HB3 GLU A 63 -17.048 -29.213 -7.166 0.50 0.00 H new ATOM 0 HG2 GLU A 63 -16.385 -26.918 -7.457 0.50 0.00 H new ATOM 0 HG3 GLU A 63 -15.066 -27.343 -8.530 0.50 0.00 H new ATOM 964 N ASP A 64 -13.142 -30.207 -8.255 0.50 0.00 N ATOM 965 CA ASP A 64 -11.880 -30.109 -9.046 0.50 0.00 C ATOM 966 C ASP A 64 -12.195 -29.846 -10.521 0.50 0.00 C ATOM 967 O ASP A 64 -12.357 -30.763 -11.302 0.50 0.00 O ATOM 968 CB ASP A 64 -11.200 -31.469 -8.876 0.50 0.00 C ATOM 969 CG ASP A 64 -9.682 -31.292 -8.941 0.50 0.00 C ATOM 970 OD1 ASP A 64 -9.197 -30.309 -8.405 0.50 0.00 O ATOM 971 OD2 ASP A 64 -9.032 -32.142 -9.526 0.50 0.00 O ATOM 0 H ASP A 64 -13.575 -31.131 -8.242 0.50 0.00 H new ATOM 0 HA ASP A 64 -11.245 -29.290 -8.709 0.50 0.00 H new ATOM 0 HB2 ASP A 64 -11.485 -31.913 -7.922 0.50 0.00 H new ATOM 0 HB3 ASP A 64 -11.531 -32.153 -9.657 0.50 0.00 H new ATOM 976 N THR A 65 -12.281 -28.601 -10.905 0.50 0.00 N ATOM 977 CA THR A 65 -12.583 -28.275 -12.329 0.50 0.00 C ATOM 978 C THR A 65 -12.042 -26.884 -12.676 0.50 0.00 C ATOM 979 O THR A 65 -11.011 -26.749 -13.305 0.50 0.00 O ATOM 980 CB THR A 65 -14.110 -28.302 -12.429 0.50 0.00 C ATOM 981 OG1 THR A 65 -14.670 -27.682 -11.281 0.50 0.00 O ATOM 982 CG2 THR A 65 -14.593 -29.750 -12.516 0.50 0.00 C ATOM 0 H THR A 65 -12.155 -27.794 -10.293 0.50 0.00 H new ATOM 0 HA THR A 65 -12.120 -28.977 -13.022 0.50 0.00 H new ATOM 0 HB THR A 65 -14.424 -27.763 -13.323 0.50 0.00 H new ATOM 0 HG1 THR A 65 -15.539 -27.293 -11.511 0.50 0.00 H new ATOM 0 HG21 THR A 65 -15.681 -29.767 -12.587 0.50 0.00 H new ATOM 0 HG22 THR A 65 -14.164 -30.224 -13.399 0.50 0.00 H new ATOM 0 HG23 THR A 65 -14.279 -30.292 -11.624 0.50 0.00 H new ATOM 990 N GLY A 66 -12.729 -25.848 -12.269 0.50 0.00 N ATOM 991 CA GLY A 66 -12.254 -24.466 -12.573 0.50 0.00 C ATOM 992 C GLY A 66 -12.131 -24.281 -14.088 0.50 0.00 C ATOM 993 O GLY A 66 -12.919 -24.802 -14.851 0.50 0.00 O ATOM 0 H GLY A 66 -13.599 -25.900 -11.739 0.50 0.00 H new ATOM 0 HA2 GLY A 66 -12.950 -23.734 -12.163 0.50 0.00 H new ATOM 0 HA3 GLY A 66 -11.290 -24.290 -12.096 0.50 0.00 H new ATOM 997 N ASP A 67 -11.147 -23.543 -14.525 0.50 0.00 N ATOM 998 CA ASP A 67 -10.968 -23.321 -15.990 0.50 0.00 C ATOM 999 C ASP A 67 -9.804 -24.168 -16.513 0.50 0.00 C ATOM 1000 O ASP A 67 -9.343 -25.079 -15.855 0.50 0.00 O ATOM 1001 CB ASP A 67 -10.653 -21.831 -16.129 0.50 0.00 C ATOM 1002 CG ASP A 67 -11.874 -21.010 -15.711 0.50 0.00 C ATOM 1003 OD1 ASP A 67 -12.780 -20.879 -16.519 0.50 0.00 O ATOM 1004 OD2 ASP A 67 -11.885 -20.527 -14.591 0.50 0.00 O ATOM 0 H ASP A 67 -10.458 -23.083 -13.930 0.50 0.00 H new ATOM 0 HA ASP A 67 -11.851 -23.605 -16.563 0.50 0.00 H new ATOM 0 HB2 ASP A 67 -9.796 -21.570 -15.508 0.50 0.00 H new ATOM 0 HB3 ASP A 67 -10.382 -21.600 -17.159 0.50 0.00 H new ATOM 1009 N SER A 68 -9.328 -23.873 -17.694 0.50 0.00 N ATOM 1010 CA SER A 68 -8.195 -24.660 -18.261 0.50 0.00 C ATOM 1011 C SER A 68 -6.875 -23.911 -18.059 0.50 0.00 C ATOM 1012 O SER A 68 -5.988 -23.962 -18.890 0.50 0.00 O ATOM 1013 CB SER A 68 -8.512 -24.792 -19.750 0.50 0.00 C ATOM 1014 OG SER A 68 -8.051 -26.053 -20.218 0.50 0.00 O ATOM 0 H SER A 68 -9.675 -23.121 -18.290 0.50 0.00 H new ATOM 0 HA SER A 68 -8.085 -25.631 -17.778 0.50 0.00 H new ATOM 0 HB2 SER A 68 -9.586 -24.700 -19.915 0.50 0.00 H new ATOM 0 HB3 SER A 68 -8.034 -23.987 -20.308 0.50 0.00 H new ATOM 0 HG SER A 68 -8.254 -26.142 -21.173 0.50 0.00 H new ATOM 1020 N ASP A 69 -6.738 -23.216 -16.961 0.50 0.00 N ATOM 1021 CA ASP A 69 -5.476 -22.463 -16.704 0.50 0.00 C ATOM 1022 C ASP A 69 -4.439 -23.379 -16.048 0.50 0.00 C ATOM 1023 O ASP A 69 -4.685 -24.548 -15.822 0.50 0.00 O ATOM 1024 CB ASP A 69 -5.875 -21.331 -15.753 0.50 0.00 C ATOM 1025 CG ASP A 69 -5.332 -20.001 -16.281 0.50 0.00 C ATOM 1026 OD1 ASP A 69 -4.188 -19.977 -16.703 0.50 0.00 O ATOM 1027 OD2 ASP A 69 -6.070 -19.031 -16.254 0.50 0.00 O ATOM 0 H ASP A 69 -7.446 -23.137 -16.231 0.50 0.00 H new ATOM 0 HA ASP A 69 -5.027 -22.083 -17.621 0.50 0.00 H new ATOM 0 HB2 ASP A 69 -6.960 -21.283 -15.664 0.50 0.00 H new ATOM 0 HB3 ASP A 69 -5.482 -21.525 -14.755 0.50 0.00 H new ATOM 1032 N GLU A 70 -3.281 -22.857 -15.742 0.50 0.00 N ATOM 1033 CA GLU A 70 -2.228 -23.698 -15.101 0.50 0.00 C ATOM 1034 C GLU A 70 -1.772 -23.064 -13.784 0.50 0.00 C ATOM 1035 O GLU A 70 -2.321 -22.075 -13.338 0.50 0.00 O ATOM 1036 CB GLU A 70 -1.078 -23.726 -16.108 0.50 0.00 C ATOM 1037 CG GLU A 70 -1.536 -24.435 -17.385 0.50 0.00 C ATOM 1038 CD GLU A 70 -0.318 -24.990 -18.126 0.50 0.00 C ATOM 1039 OE1 GLU A 70 0.668 -24.279 -18.222 0.50 0.00 O ATOM 1040 OE2 GLU A 70 -0.394 -26.119 -18.585 0.50 0.00 O ATOM 0 H GLU A 70 -3.019 -21.885 -15.908 0.50 0.00 H new ATOM 0 HA GLU A 70 -2.587 -24.699 -14.863 0.50 0.00 H new ATOM 0 HB2 GLU A 70 -0.757 -22.710 -16.338 0.50 0.00 H new ATOM 0 HB3 GLU A 70 -0.219 -24.243 -15.681 0.50 0.00 H new ATOM 0 HG2 GLU A 70 -2.224 -25.243 -17.138 0.50 0.00 H new ATOM 0 HG3 GLU A 70 -2.078 -23.739 -18.025 0.50 0.00 H new ATOM 1047 N TRP A 71 -0.773 -23.628 -13.159 0.50 0.00 N ATOM 1048 CA TRP A 71 -0.280 -23.063 -11.870 0.50 0.00 C ATOM 1049 C TRP A 71 1.004 -22.260 -12.099 0.50 0.00 C ATOM 1050 O TRP A 71 1.844 -22.630 -12.896 0.50 0.00 O ATOM 1051 CB TRP A 71 -0.001 -24.278 -10.990 0.50 0.00 C ATOM 1052 CG TRP A 71 0.312 -23.820 -9.609 0.50 0.00 C ATOM 1053 CD1 TRP A 71 1.543 -23.809 -9.059 0.50 0.00 C ATOM 1054 CD2 TRP A 71 -0.597 -23.303 -8.598 0.50 0.00 C ATOM 1055 NE1 TRP A 71 1.452 -23.322 -7.769 0.50 0.00 N ATOM 1056 CE2 TRP A 71 0.150 -22.996 -7.440 0.50 0.00 C ATOM 1057 CE3 TRP A 71 -1.983 -23.076 -8.576 0.50 0.00 C ATOM 1058 CZ2 TRP A 71 -0.457 -22.480 -6.297 0.50 0.00 C ATOM 1059 CZ3 TRP A 71 -2.598 -22.556 -7.428 0.50 0.00 C ATOM 1060 CH2 TRP A 71 -1.836 -22.258 -6.289 0.50 0.00 C ATOM 0 H TRP A 71 -0.277 -24.457 -13.486 0.50 0.00 H new ATOM 0 HA TRP A 71 -1.000 -22.384 -11.414 0.50 0.00 H new ATOM 0 HB2 TRP A 71 -0.866 -24.940 -10.979 0.50 0.00 H new ATOM 0 HB3 TRP A 71 0.834 -24.851 -11.394 0.50 0.00 H new ATOM 0 HD1 TRP A 71 2.452 -24.129 -9.547 0.50 0.00 H new ATOM 0 HE1 TRP A 71 2.247 -23.216 -7.138 0.50 0.00 H new ATOM 0 HE3 TRP A 71 -2.578 -23.303 -9.448 0.50 0.00 H new ATOM 0 HZ2 TRP A 71 0.135 -22.253 -5.423 0.50 0.00 H new ATOM 0 HZ3 TRP A 71 -3.664 -22.384 -7.421 0.50 0.00 H new ATOM 0 HH2 TRP A 71 -2.314 -21.858 -5.407 0.50 0.00 H new ATOM 1071 N VAL A 72 1.159 -21.163 -11.406 0.50 0.00 N ATOM 1072 CA VAL A 72 2.388 -20.333 -11.581 0.50 0.00 C ATOM 1073 C VAL A 72 3.436 -20.716 -10.533 0.50 0.00 C ATOM 1074 O VAL A 72 3.145 -21.404 -9.573 0.50 0.00 O ATOM 1075 CB VAL A 72 1.925 -18.889 -11.376 0.50 0.00 C ATOM 1076 CG1 VAL A 72 3.111 -17.941 -11.562 0.50 0.00 C ATOM 1077 CG2 VAL A 72 0.840 -18.550 -12.402 0.50 0.00 C ATOM 0 H VAL A 72 0.488 -20.805 -10.726 0.50 0.00 H new ATOM 0 HA VAL A 72 2.849 -20.477 -12.558 0.50 0.00 H new ATOM 0 HB VAL A 72 1.523 -18.777 -10.369 0.50 0.00 H new ATOM 0 HG11 VAL A 72 2.781 -16.912 -11.416 0.50 0.00 H new ATOM 0 HG12 VAL A 72 3.886 -18.180 -10.834 0.50 0.00 H new ATOM 0 HG13 VAL A 72 3.512 -18.054 -12.569 0.50 0.00 H new ATOM 0 HG21 VAL A 72 0.510 -17.521 -12.256 0.50 0.00 H new ATOM 0 HG22 VAL A 72 1.243 -18.663 -13.408 0.50 0.00 H new ATOM 0 HG23 VAL A 72 -0.006 -19.224 -12.273 0.50 0.00 H new ATOM 1087 N PHE A 73 4.654 -20.275 -10.708 0.50 0.00 N ATOM 1088 CA PHE A 73 5.721 -20.613 -9.721 0.50 0.00 C ATOM 1089 C PHE A 73 5.566 -19.753 -8.463 0.50 0.00 C ATOM 1090 O PHE A 73 5.563 -20.253 -7.355 0.50 0.00 O ATOM 1091 CB PHE A 73 7.038 -20.291 -10.433 0.50 0.00 C ATOM 1092 CG PHE A 73 7.998 -21.445 -10.267 0.50 0.00 C ATOM 1093 CD1 PHE A 73 8.338 -21.893 -8.985 0.50 0.00 C ATOM 1094 CD2 PHE A 73 8.549 -22.066 -11.394 0.50 0.00 C ATOM 1095 CE1 PHE A 73 9.229 -22.963 -8.830 0.50 0.00 C ATOM 1096 CE2 PHE A 73 9.439 -23.136 -11.239 0.50 0.00 C ATOM 1097 CZ PHE A 73 9.779 -23.584 -9.958 0.50 0.00 C ATOM 0 H PHE A 73 4.956 -19.696 -11.491 0.50 0.00 H new ATOM 0 HA PHE A 73 5.675 -21.654 -9.403 0.50 0.00 H new ATOM 0 HB2 PHE A 73 6.855 -20.106 -11.492 0.50 0.00 H new ATOM 0 HB3 PHE A 73 7.473 -19.381 -10.021 0.50 0.00 H new ATOM 0 HD1 PHE A 73 7.913 -21.414 -8.115 0.50 0.00 H new ATOM 0 HD2 PHE A 73 8.288 -21.720 -12.383 0.50 0.00 H new ATOM 0 HE1 PHE A 73 9.491 -23.309 -7.841 0.50 0.00 H new ATOM 0 HE2 PHE A 73 9.863 -23.616 -12.109 0.50 0.00 H new ATOM 0 HZ PHE A 73 10.466 -24.409 -9.839 0.50 0.00 H new ATOM 1107 N ASP A 74 5.437 -18.463 -8.627 0.50 0.00 N ATOM 1108 CA ASP A 74 5.280 -17.568 -7.443 0.50 0.00 C ATOM 1109 C ASP A 74 4.136 -16.578 -7.675 0.50 0.00 C ATOM 1110 O ASP A 74 4.338 -15.380 -7.729 0.50 0.00 O ATOM 1111 CB ASP A 74 6.618 -16.829 -7.316 0.50 0.00 C ATOM 1112 CG ASP A 74 6.970 -16.146 -8.644 0.50 0.00 C ATOM 1113 OD1 ASP A 74 6.075 -15.954 -9.451 0.50 0.00 O ATOM 1114 OD2 ASP A 74 8.132 -15.826 -8.830 0.50 0.00 O ATOM 0 H ASP A 74 5.434 -17.990 -9.531 0.50 0.00 H new ATOM 0 HA ASP A 74 5.038 -18.124 -6.537 0.50 0.00 H new ATOM 0 HB2 ASP A 74 6.558 -16.086 -6.521 0.50 0.00 H new ATOM 0 HB3 ASP A 74 7.405 -17.530 -7.039 0.50 0.00 H new ATOM 1119 N LYS A 75 2.933 -17.070 -7.815 0.50 0.00 N ATOM 1120 CA LYS A 75 1.774 -16.160 -8.046 0.50 0.00 C ATOM 1121 C LYS A 75 0.467 -16.864 -7.672 0.50 0.00 C ATOM 1122 O LYS A 75 -0.172 -17.486 -8.498 0.50 0.00 O ATOM 1123 CB LYS A 75 1.809 -15.850 -9.544 0.50 0.00 C ATOM 1124 CG LYS A 75 1.502 -14.367 -9.768 0.50 0.00 C ATOM 1125 CD LYS A 75 2.782 -13.547 -9.590 0.50 0.00 C ATOM 1126 CE LYS A 75 2.860 -12.475 -10.679 0.50 0.00 C ATOM 1127 NZ LYS A 75 2.103 -11.314 -10.132 0.50 0.00 N ATOM 0 H LYS A 75 2.704 -18.063 -7.779 0.50 0.00 H new ATOM 0 HA LYS A 75 1.830 -15.255 -7.441 0.50 0.00 H new ATOM 0 HB2 LYS A 75 2.789 -16.095 -9.954 0.50 0.00 H new ATOM 0 HB3 LYS A 75 1.080 -16.466 -10.070 0.50 0.00 H new ATOM 0 HG2 LYS A 75 1.097 -14.216 -10.769 0.50 0.00 H new ATOM 0 HG3 LYS A 75 0.742 -14.032 -9.062 0.50 0.00 H new ATOM 0 HD2 LYS A 75 2.793 -13.081 -8.605 0.50 0.00 H new ATOM 0 HD3 LYS A 75 3.654 -14.199 -9.644 0.50 0.00 H new ATOM 0 HE2 LYS A 75 3.894 -12.206 -10.894 0.50 0.00 H new ATOM 0 HE3 LYS A 75 2.421 -12.828 -11.612 0.50 0.00 H new ATOM 0 HZ1 LYS A 75 2.112 -10.537 -10.823 0.50 0.00 H new ATOM 0 HZ2 LYS A 75 1.121 -11.598 -9.943 0.50 0.00 H new ATOM 0 HZ3 LYS A 75 2.548 -10.995 -9.247 0.50 0.00 H new ATOM 1141 N LYS A 76 0.066 -16.770 -6.432 0.50 0.00 N ATOM 1142 CA LYS A 76 -1.200 -17.433 -6.002 0.50 0.00 C ATOM 1143 C LYS A 76 -2.061 -16.458 -5.194 0.50 0.00 C ATOM 1144 O LYS A 76 -2.777 -16.848 -4.293 0.50 0.00 O ATOM 1145 CB LYS A 76 -0.759 -18.612 -5.129 0.50 0.00 C ATOM 1146 CG LYS A 76 0.105 -18.106 -3.969 0.50 0.00 C ATOM 1147 CD LYS A 76 0.101 -19.138 -2.835 0.50 0.00 C ATOM 1148 CE LYS A 76 -0.599 -18.554 -1.604 0.50 0.00 C ATOM 1149 NZ LYS A 76 0.399 -18.664 -0.503 0.50 0.00 N ATOM 0 H LYS A 76 0.560 -16.263 -5.698 0.50 0.00 H new ATOM 0 HA LYS A 76 -1.802 -17.759 -6.850 0.50 0.00 H new ATOM 0 HB2 LYS A 76 -1.633 -19.136 -4.742 0.50 0.00 H new ATOM 0 HB3 LYS A 76 -0.197 -19.329 -5.727 0.50 0.00 H new ATOM 0 HG2 LYS A 76 1.125 -17.931 -4.311 0.50 0.00 H new ATOM 0 HG3 LYS A 76 -0.278 -17.152 -3.607 0.50 0.00 H new ATOM 0 HD2 LYS A 76 -0.409 -20.045 -3.159 0.50 0.00 H new ATOM 0 HD3 LYS A 76 1.124 -19.420 -2.584 0.50 0.00 H new ATOM 0 HE2 LYS A 76 -0.890 -17.517 -1.771 0.50 0.00 H new ATOM 0 HE3 LYS A 76 -1.509 -19.106 -1.368 0.50 0.00 H new ATOM 0 HZ1 LYS A 76 -0.009 -18.283 0.375 0.50 0.00 H new ATOM 0 HZ2 LYS A 76 0.652 -19.663 -0.362 0.50 0.00 H new ATOM 0 HZ3 LYS A 76 1.252 -18.123 -0.752 0.50 0.00 H new ATOM 1163 N LEU A 77 -1.994 -15.192 -5.510 0.50 0.00 N ATOM 1164 CA LEU A 77 -2.806 -14.190 -4.761 0.50 0.00 C ATOM 1165 C LEU A 77 -3.287 -13.086 -5.709 0.50 0.00 C ATOM 1166 O LEU A 77 -2.663 -12.051 -5.837 0.50 0.00 O ATOM 1167 CB LEU A 77 -1.858 -13.620 -3.707 0.50 0.00 C ATOM 1168 CG LEU A 77 -2.617 -13.407 -2.397 0.50 0.00 C ATOM 1169 CD1 LEU A 77 -2.455 -14.639 -1.505 0.50 0.00 C ATOM 1170 CD2 LEU A 77 -2.054 -12.180 -1.676 0.50 0.00 C ATOM 0 H LEU A 77 -1.412 -14.809 -6.255 0.50 0.00 H new ATOM 0 HA LEU A 77 -3.695 -14.631 -4.311 0.50 0.00 H new ATOM 0 HB2 LEU A 77 -1.022 -14.301 -3.548 0.50 0.00 H new ATOM 0 HB3 LEU A 77 -1.438 -12.676 -4.053 0.50 0.00 H new ATOM 0 HG LEU A 77 -3.674 -13.251 -2.612 0.50 0.00 H new ATOM 0 HD11 LEU A 77 -2.996 -14.486 -0.571 0.50 0.00 H new ATOM 0 HD12 LEU A 77 -2.855 -15.514 -2.017 0.50 0.00 H new ATOM 0 HD13 LEU A 77 -1.398 -14.796 -1.290 0.50 0.00 H new ATOM 0 HD21 LEU A 77 -2.594 -12.027 -0.742 0.50 0.00 H new ATOM 0 HD22 LEU A 77 -0.997 -12.337 -1.462 0.50 0.00 H new ATOM 0 HD23 LEU A 77 -2.169 -11.301 -2.310 0.50 0.00 H new ATOM 1182 N LEU A 78 -4.392 -13.301 -6.372 0.50 0.00 N ATOM 1183 CA LEU A 78 -4.915 -12.268 -7.311 0.50 0.00 C ATOM 1184 C LEU A 78 -5.716 -11.213 -6.543 0.50 0.00 C ATOM 1185 O LEU A 78 -6.885 -11.392 -6.261 0.50 0.00 O ATOM 1186 CB LEU A 78 -5.823 -13.032 -8.276 0.50 0.00 C ATOM 1187 CG LEU A 78 -5.043 -13.384 -9.543 0.50 0.00 C ATOM 1188 CD1 LEU A 78 -3.957 -14.407 -9.208 0.50 0.00 C ATOM 1189 CD2 LEU A 78 -6.000 -13.979 -10.579 0.50 0.00 C ATOM 0 H LEU A 78 -4.955 -14.149 -6.303 0.50 0.00 H new ATOM 0 HA LEU A 78 -4.116 -11.743 -7.833 0.50 0.00 H new ATOM 0 HB2 LEU A 78 -6.194 -13.940 -7.801 0.50 0.00 H new ATOM 0 HB3 LEU A 78 -6.693 -12.427 -8.529 0.50 0.00 H new ATOM 0 HG LEU A 78 -4.580 -12.483 -9.947 0.50 0.00 H new ATOM 0 HD11 LEU A 78 -3.402 -14.657 -10.112 0.50 0.00 H new ATOM 0 HD12 LEU A 78 -3.276 -13.986 -8.469 0.50 0.00 H new ATOM 0 HD13 LEU A 78 -4.418 -15.308 -8.804 0.50 0.00 H new ATOM 0 HD21 LEU A 78 -5.446 -14.231 -11.483 0.50 0.00 H new ATOM 0 HD22 LEU A 78 -6.461 -14.879 -10.173 0.50 0.00 H new ATOM 0 HD23 LEU A 78 -6.775 -13.251 -10.819 0.50 0.00 H new ATOM 1201 N CYS A 79 -5.096 -10.114 -6.205 0.50 0.00 N ATOM 1202 CA CYS A 79 -5.822 -9.045 -5.453 0.50 0.00 C ATOM 1203 C CYS A 79 -7.005 -8.531 -6.277 0.50 0.00 C ATOM 1204 O CYS A 79 -6.884 -8.265 -7.457 0.50 0.00 O ATOM 1205 CB CYS A 79 -4.791 -7.935 -5.244 0.50 0.00 C ATOM 1206 SG CYS A 79 -3.579 -8.462 -4.007 0.50 0.00 S ATOM 0 H CYS A 79 -4.119 -9.909 -6.416 0.50 0.00 H new ATOM 0 HA CYS A 79 -6.226 -9.407 -4.508 0.50 0.00 H new ATOM 0 HB2 CYS A 79 -4.290 -7.707 -6.185 0.50 0.00 H new ATOM 0 HB3 CYS A 79 -5.286 -7.021 -4.917 0.50 0.00 H new ATOM 0 HG CYS A 79 -2.387 -8.117 -4.393 0.50 0.00 H new ATOM 1212 N GLU A 80 -8.149 -8.390 -5.661 0.50 0.00 N ATOM 1213 CA GLU A 80 -9.343 -7.894 -6.404 0.50 0.00 C ATOM 1214 C GLU A 80 -9.774 -6.528 -5.860 0.50 0.00 C ATOM 1215 O GLU A 80 -10.733 -6.419 -5.122 0.50 0.00 O ATOM 1216 CB GLU A 80 -10.430 -8.940 -6.151 0.50 0.00 C ATOM 1217 CG GLU A 80 -10.043 -10.253 -6.833 0.50 0.00 C ATOM 1218 CD GLU A 80 -11.145 -11.289 -6.608 0.50 0.00 C ATOM 1219 OE1 GLU A 80 -11.629 -11.377 -5.492 0.50 0.00 O ATOM 1220 OE2 GLU A 80 -11.486 -11.978 -7.556 0.50 0.00 O ATOM 0 H GLU A 80 -8.308 -8.597 -4.675 0.50 0.00 H new ATOM 0 HA GLU A 80 -9.143 -7.764 -7.468 0.50 0.00 H new ATOM 0 HB2 GLU A 80 -10.556 -9.098 -5.080 0.50 0.00 H new ATOM 0 HB3 GLU A 80 -11.387 -8.586 -6.536 0.50 0.00 H new ATOM 0 HG2 GLU A 80 -9.894 -10.091 -7.901 0.50 0.00 H new ATOM 0 HG3 GLU A 80 -9.098 -10.619 -6.432 0.50 0.00 H new ATOM 1227 N THR A 81 -9.072 -5.487 -6.222 0.50 0.00 N ATOM 1228 CA THR A 81 -9.441 -4.128 -5.728 0.50 0.00 C ATOM 1229 C THR A 81 -10.129 -3.332 -6.841 0.50 0.00 C ATOM 1230 O THR A 81 -9.597 -2.362 -7.342 0.50 0.00 O ATOM 1231 CB THR A 81 -8.116 -3.467 -5.336 0.50 0.00 C ATOM 1232 OG1 THR A 81 -7.109 -3.826 -6.275 0.50 0.00 O ATOM 1233 CG2 THR A 81 -7.707 -3.931 -3.936 0.50 0.00 C ATOM 0 H THR A 81 -8.260 -5.519 -6.838 0.50 0.00 H new ATOM 0 HA THR A 81 -10.135 -4.171 -4.889 0.50 0.00 H new ATOM 0 HB THR A 81 -8.237 -2.384 -5.335 0.50 0.00 H new ATOM 0 HG1 THR A 81 -6.382 -4.292 -5.812 0.50 0.00 H new ATOM 0 HG21 THR A 81 -6.764 -3.460 -3.658 0.50 0.00 H new ATOM 0 HG22 THR A 81 -8.479 -3.649 -3.219 0.50 0.00 H new ATOM 0 HG23 THR A 81 -7.587 -5.014 -3.932 0.50 0.00 H new ATOM 1241 N GLU A 82 -11.312 -3.740 -7.228 0.50 0.00 N ATOM 1242 CA GLU A 82 -12.053 -3.020 -8.310 0.50 0.00 C ATOM 1243 C GLU A 82 -11.191 -2.915 -9.578 0.50 0.00 C ATOM 1244 O GLU A 82 -11.260 -3.760 -10.449 0.50 0.00 O ATOM 1245 CB GLU A 82 -12.361 -1.633 -7.736 0.50 0.00 C ATOM 1246 CG GLU A 82 -13.405 -1.762 -6.625 0.50 0.00 C ATOM 1247 CD GLU A 82 -14.807 -1.656 -7.226 0.50 0.00 C ATOM 1248 OE1 GLU A 82 -15.190 -2.561 -7.950 0.50 0.00 O ATOM 1249 OE2 GLU A 82 -15.475 -0.672 -6.953 0.50 0.00 O ATOM 0 H GLU A 82 -11.800 -4.547 -6.838 0.50 0.00 H new ATOM 0 HA GLU A 82 -12.964 -3.544 -8.600 0.50 0.00 H new ATOM 0 HB2 GLU A 82 -11.451 -1.180 -7.344 0.50 0.00 H new ATOM 0 HB3 GLU A 82 -12.731 -0.976 -8.523 0.50 0.00 H new ATOM 0 HG2 GLU A 82 -13.289 -2.717 -6.112 0.50 0.00 H new ATOM 0 HG3 GLU A 82 -13.257 -0.980 -5.880 0.50 0.00 H new ATOM 1256 N GLY A 83 -10.383 -1.892 -9.692 0.50 0.00 N ATOM 1257 CA GLY A 83 -9.527 -1.748 -10.904 0.50 0.00 C ATOM 1258 C GLY A 83 -8.087 -2.139 -10.565 0.50 0.00 C ATOM 1259 O GLY A 83 -7.148 -1.675 -11.182 0.50 0.00 O ATOM 0 H GLY A 83 -10.280 -1.152 -8.998 0.50 0.00 H new ATOM 0 HA2 GLY A 83 -9.907 -2.380 -11.707 0.50 0.00 H new ATOM 0 HA3 GLY A 83 -9.560 -0.720 -11.265 0.50 0.00 H new ATOM 1263 N ARG A 84 -7.906 -2.995 -9.590 0.50 0.00 N ATOM 1264 CA ARG A 84 -6.527 -3.427 -9.201 0.50 0.00 C ATOM 1265 C ARG A 84 -5.710 -2.228 -8.709 0.50 0.00 C ATOM 1266 O ARG A 84 -5.608 -1.217 -9.375 0.50 0.00 O ATOM 1267 CB ARG A 84 -5.907 -4.014 -10.472 0.50 0.00 C ATOM 1268 CG ARG A 84 -4.840 -5.041 -10.091 0.50 0.00 C ATOM 1269 CD ARG A 84 -4.633 -6.020 -11.249 0.50 0.00 C ATOM 1270 NE ARG A 84 -3.746 -7.082 -10.699 0.50 0.00 N ATOM 1271 CZ ARG A 84 -2.516 -7.190 -11.123 0.50 0.00 C ATOM 1272 NH1 ARG A 84 -2.278 -7.389 -12.391 0.50 0.00 N ATOM 1273 NH2 ARG A 84 -1.525 -7.100 -10.279 0.50 0.00 N ATOM 0 H ARG A 84 -8.658 -3.415 -9.044 0.50 0.00 H new ATOM 0 HA ARG A 84 -6.545 -4.154 -8.389 0.50 0.00 H new ATOM 0 HB2 ARG A 84 -6.678 -4.484 -11.082 0.50 0.00 H new ATOM 0 HB3 ARG A 84 -5.465 -3.220 -11.074 0.50 0.00 H new ATOM 0 HG2 ARG A 84 -3.903 -4.537 -9.856 0.50 0.00 H new ATOM 0 HG3 ARG A 84 -5.145 -5.581 -9.195 0.50 0.00 H new ATOM 0 HD2 ARG A 84 -5.582 -6.435 -11.590 0.50 0.00 H new ATOM 0 HD3 ARG A 84 -4.174 -5.527 -12.106 0.50 0.00 H new ATOM 0 HE ARG A 84 -4.099 -7.725 -9.991 0.50 0.00 H new ATOM 0 HH11 ARG A 84 -3.053 -7.460 -13.050 0.50 0.00 H new ATOM 0 HH12 ARG A 84 -1.317 -7.473 -12.722 0.50 0.00 H new ATOM 0 HH21 ARG A 84 -1.711 -6.945 -9.288 0.50 0.00 H new ATOM 0 HH22 ARG A 84 -0.564 -7.184 -10.610 0.50 0.00 H new ATOM 1287 N VAL A 85 -5.126 -2.336 -7.546 0.50 0.00 N ATOM 1288 CA VAL A 85 -4.312 -1.204 -7.010 0.50 0.00 C ATOM 1289 C VAL A 85 -3.146 -0.899 -7.953 0.50 0.00 C ATOM 1290 O VAL A 85 -2.379 -1.772 -8.314 0.50 0.00 O ATOM 1291 CB VAL A 85 -3.804 -1.687 -5.645 0.50 0.00 C ATOM 1292 CG1 VAL A 85 -3.010 -2.987 -5.817 0.50 0.00 C ATOM 1293 CG2 VAL A 85 -2.901 -0.614 -5.022 0.50 0.00 C ATOM 0 H VAL A 85 -5.176 -3.158 -6.944 0.50 0.00 H new ATOM 0 HA VAL A 85 -4.889 -0.284 -6.920 0.50 0.00 H new ATOM 0 HB VAL A 85 -4.656 -1.869 -4.990 0.50 0.00 H new ATOM 0 HG11 VAL A 85 -2.652 -3.326 -4.845 0.50 0.00 H new ATOM 0 HG12 VAL A 85 -3.653 -3.751 -6.253 0.50 0.00 H new ATOM 0 HG13 VAL A 85 -2.160 -2.810 -6.476 0.50 0.00 H new ATOM 0 HG21 VAL A 85 -2.541 -0.959 -4.053 0.50 0.00 H new ATOM 0 HG22 VAL A 85 -2.051 -0.427 -5.679 0.50 0.00 H new ATOM 0 HG23 VAL A 85 -3.468 0.308 -4.891 0.50 0.00 H new ATOM 1303 N ARG A 86 -3.009 0.336 -8.358 0.50 0.00 N ATOM 1304 CA ARG A 86 -1.897 0.705 -9.283 0.50 0.00 C ATOM 1305 C ARG A 86 -0.860 1.559 -8.551 0.50 0.00 C ATOM 1306 O ARG A 86 -1.060 2.736 -8.324 0.50 0.00 O ATOM 1307 CB ARG A 86 -2.563 1.512 -10.398 0.50 0.00 C ATOM 1308 CG ARG A 86 -1.521 1.888 -11.456 0.50 0.00 C ATOM 1309 CD ARG A 86 -1.574 3.396 -11.718 0.50 0.00 C ATOM 1310 NE ARG A 86 -2.946 3.648 -12.241 0.50 0.00 N ATOM 1311 CZ ARG A 86 -3.204 4.750 -12.891 0.50 0.00 C ATOM 1312 NH1 ARG A 86 -2.724 5.887 -12.466 0.50 0.00 N ATOM 1313 NH2 ARG A 86 -3.942 4.715 -13.967 0.50 0.00 N ATOM 0 H ARG A 86 -3.620 1.107 -8.088 0.50 0.00 H new ATOM 0 HA ARG A 86 -1.373 -0.170 -9.668 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -3.364 0.929 -10.853 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -3.019 2.413 -9.986 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -0.525 1.603 -11.117 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -1.712 1.342 -12.379 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -1.389 3.962 -10.805 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -0.815 3.698 -12.439 0.50 0.00 H new ATOM 0 HE ARG A 86 -3.684 2.960 -12.091 0.50 0.00 H new ATOM 0 HH11 ARG A 86 -2.147 5.915 -11.625 0.50 0.00 H new ATOM 0 HH12 ARG A 86 -2.926 6.748 -12.974 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -4.317 3.827 -14.300 0.50 0.00 H new ATOM 0 HH22 ARG A 86 -4.144 5.576 -14.475 0.50 0.00 H new ATOM 1327 N VAL A 87 0.248 0.976 -8.180 0.50 0.00 N ATOM 1328 CA VAL A 87 1.300 1.754 -7.462 0.50 0.00 C ATOM 1329 C VAL A 87 2.559 1.859 -8.327 0.50 0.00 C ATOM 1330 O VAL A 87 3.139 0.864 -8.717 0.50 0.00 O ATOM 1331 CB VAL A 87 1.584 0.958 -6.188 0.50 0.00 C ATOM 1332 CG1 VAL A 87 2.639 1.686 -5.356 0.50 0.00 C ATOM 1333 CG2 VAL A 87 0.297 0.824 -5.371 0.50 0.00 C ATOM 0 H VAL A 87 0.471 -0.006 -8.343 0.50 0.00 H new ATOM 0 HA VAL A 87 0.983 2.773 -7.239 0.50 0.00 H new ATOM 0 HB VAL A 87 1.951 -0.033 -6.455 0.50 0.00 H new ATOM 0 HG11 VAL A 87 2.841 1.118 -4.448 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.557 1.782 -5.936 0.50 0.00 H new ATOM 0 HG13 VAL A 87 2.272 2.677 -5.090 0.50 0.00 H new ATOM 0 HG21 VAL A 87 0.500 0.256 -4.463 0.50 0.00 H new ATOM 0 HG22 VAL A 87 -0.070 1.815 -5.105 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -0.457 0.305 -5.962 0.50 0.00 H new ATOM 1343 N GLU A 88 2.987 3.057 -8.628 0.50 0.00 N ATOM 1344 CA GLU A 88 4.209 3.225 -9.468 0.50 0.00 C ATOM 1345 C GLU A 88 5.148 4.259 -8.841 0.50 0.00 C ATOM 1346 O GLU A 88 4.714 5.221 -8.238 0.50 0.00 O ATOM 1347 CB GLU A 88 3.695 3.721 -10.820 0.50 0.00 C ATOM 1348 CG GLU A 88 2.803 2.651 -11.452 0.50 0.00 C ATOM 1349 CD GLU A 88 2.476 3.044 -12.893 0.50 0.00 C ATOM 1350 OE1 GLU A 88 3.327 2.852 -13.746 0.50 0.00 O ATOM 1351 OE2 GLU A 88 1.381 3.531 -13.119 0.50 0.00 O ATOM 0 H GLU A 88 2.544 3.925 -8.329 0.50 0.00 H new ATOM 0 HA GLU A 88 4.775 2.298 -9.560 0.50 0.00 H new ATOM 0 HB2 GLU A 88 3.134 4.647 -10.690 0.50 0.00 H new ATOM 0 HB3 GLU A 88 4.533 3.946 -11.479 0.50 0.00 H new ATOM 0 HG2 GLU A 88 3.307 1.685 -11.433 0.50 0.00 H new ATOM 0 HG3 GLU A 88 1.884 2.542 -10.876 0.50 0.00 H new ATOM 1358 N THR A 89 6.433 4.065 -8.982 0.50 0.00 N ATOM 1359 CA THR A 89 7.406 5.035 -8.397 0.50 0.00 C ATOM 1360 C THR A 89 8.084 5.834 -9.514 0.50 0.00 C ATOM 1361 O THR A 89 8.412 5.302 -10.557 0.50 0.00 O ATOM 1362 CB THR A 89 8.429 4.169 -7.658 0.50 0.00 C ATOM 1363 OG1 THR A 89 7.772 3.439 -6.631 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.510 5.060 -7.042 0.50 0.00 C ATOM 0 H THR A 89 6.851 3.277 -9.477 0.50 0.00 H new ATOM 0 HA THR A 89 6.928 5.756 -7.734 0.50 0.00 H new ATOM 0 HB THR A 89 8.893 3.476 -8.360 0.50 0.00 H new ATOM 0 HG1 THR A 89 8.088 2.511 -6.635 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.237 4.440 -6.517 0.50 0.00 H new ATOM 0 HG22 THR A 89 10.013 5.620 -7.831 0.50 0.00 H new ATOM 0 HG23 THR A 89 9.051 5.756 -6.339 0.50 0.00 H new ATOM 1372 N THR A 90 8.297 7.105 -9.303 0.50 0.00 N ATOM 1373 CA THR A 90 8.956 7.933 -10.353 0.50 0.00 C ATOM 1374 C THR A 90 10.472 7.972 -10.128 0.50 0.00 C ATOM 1375 O THR A 90 11.013 7.216 -9.345 0.50 0.00 O ATOM 1376 CB THR A 90 8.344 9.331 -10.212 0.50 0.00 C ATOM 1377 OG1 THR A 90 8.878 10.181 -11.218 0.50 0.00 O ATOM 1378 CG2 THR A 90 8.670 9.907 -8.834 0.50 0.00 C ATOM 0 H THR A 90 8.044 7.605 -8.451 0.50 0.00 H new ATOM 0 HA THR A 90 8.800 7.528 -11.353 0.50 0.00 H new ATOM 0 HB THR A 90 7.262 9.262 -10.323 0.50 0.00 H new ATOM 0 HG1 THR A 90 8.939 9.689 -12.063 0.50 0.00 H new ATOM 0 HG21 THR A 90 8.231 10.901 -8.742 0.50 0.00 H new ATOM 0 HG22 THR A 90 8.260 9.256 -8.061 0.50 0.00 H new ATOM 0 HG23 THR A 90 9.751 9.975 -8.715 0.50 0.00 H new ATOM 1386 N LYS A 91 11.160 8.841 -10.820 0.50 0.00 N ATOM 1387 CA LYS A 91 12.643 8.930 -10.666 0.50 0.00 C ATOM 1388 C LYS A 91 13.045 9.098 -9.196 0.50 0.00 C ATOM 1389 O LYS A 91 14.078 8.617 -8.773 0.50 0.00 O ATOM 1390 CB LYS A 91 13.051 10.165 -11.472 0.50 0.00 C ATOM 1391 CG LYS A 91 13.436 9.744 -12.891 0.50 0.00 C ATOM 1392 CD LYS A 91 13.797 10.984 -13.712 0.50 0.00 C ATOM 1393 CE LYS A 91 15.125 11.559 -13.214 0.50 0.00 C ATOM 1394 NZ LYS A 91 15.341 12.787 -14.028 0.50 0.00 N ATOM 0 H LYS A 91 10.757 9.497 -11.489 0.50 0.00 H new ATOM 0 HA LYS A 91 13.135 8.022 -11.015 0.50 0.00 H new ATOM 0 HB2 LYS A 91 12.229 10.880 -11.504 0.50 0.00 H new ATOM 0 HB3 LYS A 91 13.890 10.666 -10.990 0.50 0.00 H new ATOM 0 HG2 LYS A 91 14.281 9.056 -12.861 0.50 0.00 H new ATOM 0 HG3 LYS A 91 12.609 9.212 -13.361 0.50 0.00 H new ATOM 0 HD2 LYS A 91 13.875 10.724 -14.768 0.50 0.00 H new ATOM 0 HD3 LYS A 91 13.009 11.732 -13.625 0.50 0.00 H new ATOM 0 HE2 LYS A 91 15.080 11.793 -12.150 0.50 0.00 H new ATOM 0 HE3 LYS A 91 15.939 10.847 -13.349 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 16.234 13.239 -13.745 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 15.386 12.532 -15.035 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 14.554 13.449 -13.873 0.50 0.00 H new ATOM 1408 N ASP A 92 12.250 9.782 -8.415 0.50 0.00 N ATOM 1409 CA ASP A 92 12.613 9.978 -6.980 0.50 0.00 C ATOM 1410 C ASP A 92 11.360 10.206 -6.128 0.50 0.00 C ATOM 1411 O ASP A 92 11.298 11.131 -5.341 0.50 0.00 O ATOM 1412 CB ASP A 92 13.503 11.221 -6.965 0.50 0.00 C ATOM 1413 CG ASP A 92 14.967 10.803 -7.127 0.50 0.00 C ATOM 1414 OD1 ASP A 92 15.587 10.492 -6.123 0.50 0.00 O ATOM 1415 OD2 ASP A 92 15.441 10.800 -8.250 0.50 0.00 O ATOM 0 H ASP A 92 11.371 10.211 -8.706 0.50 0.00 H new ATOM 0 HA ASP A 92 13.116 9.105 -6.565 0.50 0.00 H new ATOM 0 HB2 ASP A 92 13.215 11.897 -7.770 0.50 0.00 H new ATOM 0 HB3 ASP A 92 13.370 11.765 -6.030 0.50 0.00 H new ATOM 1420 N ARG A 93 10.363 9.374 -6.275 0.50 0.00 N ATOM 1421 CA ARG A 93 9.118 9.552 -5.468 0.50 0.00 C ATOM 1422 C ARG A 93 8.181 8.357 -5.659 0.50 0.00 C ATOM 1423 O ARG A 93 7.616 8.164 -6.718 0.50 0.00 O ATOM 1424 CB ARG A 93 8.470 10.833 -6.007 0.50 0.00 C ATOM 1425 CG ARG A 93 8.228 11.817 -4.857 0.50 0.00 C ATOM 1426 CD ARG A 93 8.990 13.119 -5.123 0.50 0.00 C ATOM 1427 NE ARG A 93 8.123 13.887 -6.058 0.50 0.00 N ATOM 1428 CZ ARG A 93 8.158 15.192 -6.058 0.50 0.00 C ATOM 1429 NH1 ARG A 93 8.596 15.832 -7.108 0.50 0.00 N ATOM 1430 NH2 ARG A 93 7.757 15.856 -5.009 0.50 0.00 N ATOM 0 H ARG A 93 10.356 8.581 -6.917 0.50 0.00 H new ATOM 0 HA ARG A 93 9.330 9.620 -4.401 0.50 0.00 H new ATOM 0 HB2 ARG A 93 9.115 11.289 -6.758 0.50 0.00 H new ATOM 0 HB3 ARG A 93 7.527 10.595 -6.499 0.50 0.00 H new ATOM 0 HG2 ARG A 93 7.162 12.022 -4.759 0.50 0.00 H new ATOM 0 HG3 ARG A 93 8.556 11.378 -3.915 0.50 0.00 H new ATOM 0 HD2 ARG A 93 9.162 13.672 -4.199 0.50 0.00 H new ATOM 0 HD3 ARG A 93 9.968 12.922 -5.563 0.50 0.00 H new ATOM 0 HE ARG A 93 7.501 13.394 -6.699 0.50 0.00 H new ATOM 0 HH11 ARG A 93 8.910 15.312 -7.927 0.50 0.00 H new ATOM 0 HH12 ARG A 93 8.624 16.852 -7.109 0.50 0.00 H new ATOM 0 HH21 ARG A 93 7.416 15.355 -4.188 0.50 0.00 H new ATOM 0 HH22 ARG A 93 7.785 16.876 -5.010 0.50 0.00 H new ATOM 1444 N SER A 94 8.004 7.562 -4.639 0.50 0.00 N ATOM 1445 CA SER A 94 7.094 6.386 -4.756 0.50 0.00 C ATOM 1446 C SER A 94 5.648 6.833 -4.538 0.50 0.00 C ATOM 1447 O SER A 94 5.280 7.261 -3.463 0.50 0.00 O ATOM 1448 CB SER A 94 7.533 5.431 -3.648 0.50 0.00 C ATOM 1449 OG SER A 94 7.165 5.973 -2.388 0.50 0.00 O ATOM 0 H SER A 94 8.450 7.676 -3.729 0.50 0.00 H new ATOM 0 HA SER A 94 7.144 5.914 -5.737 0.50 0.00 H new ATOM 0 HB2 SER A 94 7.067 4.455 -3.787 0.50 0.00 H new ATOM 0 HB3 SER A 94 8.611 5.278 -3.690 0.50 0.00 H new ATOM 0 HG SER A 94 6.723 5.282 -1.851 0.50 0.00 H new ATOM 1455 N ILE A 95 4.829 6.750 -5.550 0.50 0.00 N ATOM 1456 CA ILE A 95 3.412 7.185 -5.393 0.50 0.00 C ATOM 1457 C ILE A 95 2.489 5.971 -5.254 0.50 0.00 C ATOM 1458 O ILE A 95 2.637 4.982 -5.945 0.50 0.00 O ATOM 1459 CB ILE A 95 3.091 7.983 -6.672 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.439 9.313 -6.299 0.50 0.00 C ATOM 1461 CG2 ILE A 95 2.125 7.199 -7.569 0.50 0.00 C ATOM 1462 CD1 ILE A 95 2.822 10.377 -7.329 0.50 0.00 C ATOM 0 H ILE A 95 5.078 6.401 -6.476 0.50 0.00 H new ATOM 0 HA ILE A 95 3.264 7.787 -4.496 0.50 0.00 H new ATOM 0 HB ILE A 95 4.023 8.157 -7.209 0.50 0.00 H new ATOM 0 HG12 ILE A 95 1.355 9.201 -6.262 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.761 9.622 -5.305 0.50 0.00 H new ATOM 0 HG21 ILE A 95 1.910 7.779 -8.467 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.580 6.249 -7.850 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.197 7.011 -7.028 0.50 0.00 H new ATOM 0 HD11 ILE A 95 2.356 11.326 -7.062 0.50 0.00 H new ATOM 0 HD12 ILE A 95 3.905 10.496 -7.344 0.50 0.00 H new ATOM 0 HD13 ILE A 95 2.477 10.069 -8.316 0.50 0.00 H new ATOM 1474 N PHE A 96 1.525 6.055 -4.381 0.50 0.00 N ATOM 1475 CA PHE A 96 0.571 4.924 -4.212 0.50 0.00 C ATOM 1476 C PHE A 96 -0.841 5.408 -4.546 0.50 0.00 C ATOM 1477 O PHE A 96 -1.506 6.026 -3.738 0.50 0.00 O ATOM 1478 CB PHE A 96 0.677 4.510 -2.743 0.50 0.00 C ATOM 1479 CG PHE A 96 -0.183 3.293 -2.505 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -1.576 3.422 -2.443 0.50 0.00 C ATOM 1481 CD2 PHE A 96 0.411 2.036 -2.350 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -2.375 2.295 -2.229 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -0.389 0.907 -2.134 0.50 0.00 C ATOM 1484 CZ PHE A 96 -1.784 1.036 -2.075 0.50 0.00 C ATOM 0 H PHE A 96 1.356 6.859 -3.776 0.50 0.00 H new ATOM 0 HA PHE A 96 0.794 4.083 -4.868 0.50 0.00 H new ATOM 0 HB2 PHE A 96 1.714 4.292 -2.489 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.356 5.328 -2.098 0.50 0.00 H new ATOM 0 HD1 PHE A 96 -2.034 4.393 -2.561 0.50 0.00 H new ATOM 0 HD2 PHE A 96 1.485 1.936 -2.397 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -3.449 2.396 -2.182 0.50 0.00 H new ATOM 0 HE2 PHE A 96 0.069 -0.064 -2.013 0.50 0.00 H new ATOM 0 HZ PHE A 96 -2.401 0.165 -1.911 0.50 0.00 H new ATOM 1494 N THR A 97 -1.297 5.141 -5.737 0.50 0.00 N ATOM 1495 CA THR A 97 -2.664 5.588 -6.133 0.50 0.00 C ATOM 1496 C THR A 97 -3.487 4.384 -6.596 0.50 0.00 C ATOM 1497 O THR A 97 -3.189 3.760 -7.596 0.50 0.00 O ATOM 1498 CB THR A 97 -2.462 6.597 -7.276 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.670 6.720 -8.015 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.339 6.133 -8.209 0.50 0.00 C ATOM 0 H THR A 97 -0.783 4.632 -6.456 0.50 0.00 H new ATOM 0 HA THR A 97 -3.205 6.045 -5.305 0.50 0.00 H new ATOM 0 HB THR A 97 -2.188 7.562 -6.849 0.50 0.00 H new ATOM 0 HG1 THR A 97 -4.422 6.829 -7.396 0.50 0.00 H new ATOM 0 HG21 THR A 97 -1.210 6.859 -9.012 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.410 6.046 -7.645 0.50 0.00 H new ATOM 0 HG23 THR A 97 -1.597 5.163 -8.635 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.512 4.049 -5.862 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.356 2.876 -6.235 0.50 0.00 C ATOM 1510 C VAL A 98 -6.820 3.299 -6.396 0.50 0.00 C ATOM 1511 O VAL A 98 -7.372 3.994 -5.565 0.50 0.00 O ATOM 1512 CB VAL A 98 -5.197 1.886 -5.069 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.398 2.608 -3.733 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -6.232 0.763 -5.192 0.50 0.00 C ATOM 0 H VAL A 98 -4.804 4.539 -5.016 0.50 0.00 H new ATOM 0 HA VAL A 98 -5.054 2.436 -7.185 0.50 0.00 H new ATOM 0 HB VAL A 98 -4.193 1.464 -5.106 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -5.283 1.897 -2.915 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -4.656 3.400 -3.632 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.398 3.041 -3.700 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -6.113 0.066 -4.363 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -7.235 1.188 -5.167 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -6.085 0.235 -6.134 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.452 2.873 -7.458 0.50 0.00 N ATOM 1525 CA GLU A 99 -8.882 3.237 -7.674 0.50 0.00 C ATOM 1526 C GLU A 99 -9.780 2.095 -7.201 0.50 0.00 C ATOM 1527 O GLU A 99 -10.744 1.734 -7.847 0.50 0.00 O ATOM 1528 CB GLU A 99 -9.020 3.448 -9.182 0.50 0.00 C ATOM 1529 CG GLU A 99 -8.131 4.614 -9.618 0.50 0.00 C ATOM 1530 CD GLU A 99 -8.771 5.328 -10.810 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -9.732 6.049 -10.597 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -8.289 5.141 -11.915 0.50 0.00 O ATOM 0 H GLU A 99 -7.039 2.289 -8.185 0.50 0.00 H new ATOM 0 HA GLU A 99 -9.175 4.128 -7.119 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -8.735 2.541 -9.714 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -10.059 3.654 -9.437 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -7.998 5.312 -8.792 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -7.141 4.248 -9.889 0.50 0.00 H new ATOM 1539 N GLY A 100 -9.463 1.529 -6.070 0.50 0.00 N ATOM 1540 CA GLY A 100 -10.279 0.410 -5.528 0.50 0.00 C ATOM 1541 C GLY A 100 -9.895 0.179 -4.067 0.50 0.00 C ATOM 1542 O GLY A 100 -10.054 -0.904 -3.536 0.50 0.00 O ATOM 0 H GLY A 100 -8.666 1.797 -5.494 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.340 0.645 -5.606 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -10.110 -0.496 -6.110 0.50 0.00 H new ATOM 1546 N ALA A 101 -9.389 1.192 -3.410 0.50 0.00 N ATOM 1547 CA ALA A 101 -8.996 1.037 -1.985 0.50 0.00 C ATOM 1548 C ALA A 101 -10.249 1.002 -1.112 0.50 0.00 C ATOM 1549 O ALA A 101 -10.709 2.012 -0.623 0.50 0.00 O ATOM 1550 CB ALA A 101 -8.151 2.268 -1.665 0.50 0.00 C ATOM 0 H ALA A 101 -9.233 2.120 -3.804 0.50 0.00 H new ATOM 0 HA ALA A 101 -8.444 0.115 -1.800 0.50 0.00 H new ATOM 0 HB1 ALA A 101 -7.823 2.224 -0.626 0.50 0.00 H new ATOM 0 HB2 ALA A 101 -7.280 2.292 -2.320 0.50 0.00 H new ATOM 0 HB3 ALA A 101 -8.746 3.168 -1.820 0.50 0.00 H new ATOM 1556 N GLU A 102 -10.807 -0.156 -0.929 0.50 0.00 N ATOM 1557 CA GLU A 102 -12.040 -0.274 -0.097 0.50 0.00 C ATOM 1558 C GLU A 102 -11.742 -1.043 1.191 0.50 0.00 C ATOM 1559 O GLU A 102 -10.601 -1.290 1.527 0.50 0.00 O ATOM 1560 CB GLU A 102 -13.034 -1.047 -0.968 0.50 0.00 C ATOM 1561 CG GLU A 102 -14.403 -0.366 -0.910 0.50 0.00 C ATOM 1562 CD GLU A 102 -15.504 -1.424 -1.009 0.50 0.00 C ATOM 1563 OE1 GLU A 102 -15.481 -2.188 -1.958 0.50 0.00 O ATOM 1564 OE2 GLU A 102 -16.352 -1.452 -0.133 0.50 0.00 O ATOM 0 H GLU A 102 -10.464 -1.033 -1.320 0.50 0.00 H new ATOM 0 HA GLU A 102 -12.430 0.699 0.201 0.50 0.00 H new ATOM 0 HB2 GLU A 102 -12.678 -1.085 -1.998 0.50 0.00 H new ATOM 0 HB3 GLU A 102 -13.114 -2.077 -0.620 0.50 0.00 H new ATOM 0 HG2 GLU A 102 -14.504 0.193 0.020 0.50 0.00 H new ATOM 0 HG3 GLU A 102 -14.499 0.351 -1.725 0.50 0.00 H new ATOM 1571 N LYS A 103 -12.762 -1.421 1.916 0.50 0.00 N ATOM 1572 CA LYS A 103 -12.545 -2.177 3.188 0.50 0.00 C ATOM 1573 C LYS A 103 -11.641 -3.387 2.939 0.50 0.00 C ATOM 1574 O LYS A 103 -10.907 -3.815 3.808 0.50 0.00 O ATOM 1575 CB LYS A 103 -13.939 -2.630 3.623 0.50 0.00 C ATOM 1576 CG LYS A 103 -13.904 -3.063 5.091 0.50 0.00 C ATOM 1577 CD LYS A 103 -13.757 -4.587 5.177 0.50 0.00 C ATOM 1578 CE LYS A 103 -14.792 -5.149 6.154 0.50 0.00 C ATOM 1579 NZ LYS A 103 -14.068 -6.202 6.918 0.50 0.00 N ATOM 0 H LYS A 103 -13.738 -1.239 1.683 0.50 0.00 H new ATOM 0 HA LYS A 103 -12.057 -1.569 3.950 0.50 0.00 H new ATOM 0 HB2 LYS A 103 -14.654 -1.818 3.490 0.50 0.00 H new ATOM 0 HB3 LYS A 103 -14.275 -3.457 2.997 0.50 0.00 H new ATOM 0 HG2 LYS A 103 -13.073 -2.578 5.603 0.50 0.00 H new ATOM 0 HG3 LYS A 103 -14.817 -2.747 5.595 0.50 0.00 H new ATOM 0 HD2 LYS A 103 -13.894 -5.032 4.191 0.50 0.00 H new ATOM 0 HD3 LYS A 103 -12.751 -4.847 5.507 0.50 0.00 H new ATOM 0 HE2 LYS A 103 -15.172 -4.372 6.817 0.50 0.00 H new ATOM 0 HE3 LYS A 103 -15.650 -5.564 5.625 0.50 0.00 H new ATOM 0 HZ1 LYS A 103 -14.713 -6.635 7.609 0.50 0.00 H new ATOM 0 HZ2 LYS A 103 -13.723 -6.932 6.262 0.50 0.00 H new ATOM 0 HZ3 LYS A 103 -13.261 -5.776 7.417 0.50 0.00 H new ATOM 1593 N GLU A 104 -11.686 -3.935 1.754 0.50 0.00 N ATOM 1594 CA GLU A 104 -10.827 -5.114 1.442 0.50 0.00 C ATOM 1595 C GLU A 104 -9.371 -4.673 1.261 0.50 0.00 C ATOM 1596 O GLU A 104 -8.454 -5.458 1.399 0.50 0.00 O ATOM 1597 CB GLU A 104 -11.384 -5.676 0.133 0.50 0.00 C ATOM 1598 CG GLU A 104 -12.844 -6.089 0.332 0.50 0.00 C ATOM 1599 CD GLU A 104 -13.353 -6.795 -0.926 0.50 0.00 C ATOM 1600 OE1 GLU A 104 -12.716 -7.749 -1.344 0.50 0.00 O ATOM 1601 OE2 GLU A 104 -14.369 -6.370 -1.449 0.50 0.00 O ATOM 0 H GLU A 104 -12.281 -3.617 0.989 0.50 0.00 H new ATOM 0 HA GLU A 104 -10.838 -5.856 2.240 0.50 0.00 H new ATOM 0 HB2 GLU A 104 -11.312 -4.927 -0.656 0.50 0.00 H new ATOM 0 HB3 GLU A 104 -10.793 -6.534 -0.187 0.50 0.00 H new ATOM 0 HG2 GLU A 104 -12.931 -6.751 1.193 0.50 0.00 H new ATOM 0 HG3 GLU A 104 -13.456 -5.211 0.541 0.50 0.00 H new ATOM 1608 N ASP A 105 -9.154 -3.421 0.954 0.50 0.00 N ATOM 1609 CA ASP A 105 -7.759 -2.927 0.764 0.50 0.00 C ATOM 1610 C ASP A 105 -7.155 -2.515 2.109 0.50 0.00 C ATOM 1611 O ASP A 105 -5.957 -2.569 2.302 0.50 0.00 O ATOM 1612 CB ASP A 105 -7.892 -1.714 -0.159 0.50 0.00 C ATOM 1613 CG ASP A 105 -6.577 -1.498 -0.909 0.50 0.00 C ATOM 1614 OD1 ASP A 105 -5.548 -1.434 -0.257 0.50 0.00 O ATOM 1615 OD2 ASP A 105 -6.620 -1.402 -2.125 0.50 0.00 O ATOM 0 H ASP A 105 -9.883 -2.719 0.827 0.50 0.00 H new ATOM 0 HA ASP A 105 -7.104 -3.690 0.344 0.50 0.00 H new ATOM 0 HB2 ASP A 105 -8.706 -1.870 -0.867 0.50 0.00 H new ATOM 0 HB3 ASP A 105 -8.141 -0.827 0.423 0.50 0.00 H new ATOM 1620 N GLU A 106 -7.977 -2.101 3.041 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.455 -1.681 4.377 0.50 0.00 C ATOM 1622 C GLU A 106 -6.504 -2.743 4.947 0.50 0.00 C ATOM 1623 O GLU A 106 -6.401 -3.839 4.431 0.50 0.00 O ATOM 1624 CB GLU A 106 -8.694 -1.545 5.261 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.481 -0.417 6.271 0.50 0.00 C ATOM 1626 CD GLU A 106 -9.191 -0.762 7.582 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -10.372 -1.066 7.531 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -8.542 -0.717 8.614 0.50 0.00 O ATOM 0 H GLU A 106 -8.989 -2.036 2.933 0.50 0.00 H new ATOM 0 HA GLU A 106 -6.887 -0.753 4.318 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -9.570 -1.337 4.647 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.886 -2.483 5.783 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -7.416 -0.272 6.450 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -8.868 0.520 5.872 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.807 -2.420 6.004 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.860 -3.397 6.609 0.50 0.00 C ATOM 1637 C GLY A 107 -3.566 -2.674 6.984 0.50 0.00 C ATOM 1638 O GLY A 107 -3.585 -1.608 7.567 0.50 0.00 O ATOM 0 H GLY A 107 -5.854 -1.517 6.475 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -5.305 -3.854 7.493 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.650 -4.202 5.905 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.441 -3.244 6.650 0.50 0.00 N ATOM 1643 CA VAL A 108 -1.139 -2.591 6.980 0.50 0.00 C ATOM 1644 C VAL A 108 -0.138 -2.809 5.843 0.50 0.00 C ATOM 1645 O VAL A 108 -0.192 -3.797 5.137 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.665 -3.275 8.264 0.50 0.00 C ATOM 1647 CG1 VAL A 108 0.779 -2.864 8.574 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.567 -2.848 9.422 0.50 0.00 C ATOM 0 H VAL A 108 -2.365 -4.136 6.161 0.50 0.00 H new ATOM 0 HA VAL A 108 -1.236 -1.513 7.111 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.711 -4.356 8.133 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.109 -3.355 9.489 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.427 -3.161 7.749 0.50 0.00 H new ATOM 0 HG13 VAL A 108 0.830 -1.783 8.704 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -1.234 -3.332 10.340 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.516 -1.766 9.543 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.595 -3.141 9.209 0.50 0.00 H new ATOM 1658 N TYR A 109 0.774 -1.892 5.663 0.50 0.00 N ATOM 1659 CA TYR A 109 1.781 -2.046 4.572 0.50 0.00 C ATOM 1660 C TYR A 109 3.171 -1.631 5.057 0.50 0.00 C ATOM 1661 O TYR A 109 3.317 -0.887 6.005 0.50 0.00 O ATOM 1662 CB TYR A 109 1.319 -1.106 3.455 0.50 0.00 C ATOM 1663 CG TYR A 109 -0.008 -1.576 2.910 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -1.199 -1.229 3.559 0.50 0.00 C ATOM 1665 CD2 TYR A 109 -0.045 -2.361 1.751 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -2.427 -1.668 3.048 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -1.273 -2.799 1.240 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.464 -2.453 1.890 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.674 -2.885 1.387 0.50 0.00 O ATOM 0 H TYR A 109 0.866 -1.044 6.223 0.50 0.00 H new ATOM 0 HA TYR A 109 1.852 -3.081 4.238 0.50 0.00 H new ATOM 0 HB2 TYR A 109 1.226 -0.089 3.837 0.50 0.00 H new ATOM 0 HB3 TYR A 109 2.062 -1.080 2.658 0.50 0.00 H new ATOM 0 HD1 TYR A 109 -1.171 -0.623 4.453 0.50 0.00 H new ATOM 0 HD2 TYR A 109 0.874 -2.629 1.251 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -3.346 -1.400 3.548 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -1.301 -3.403 0.345 0.50 0.00 H new ATOM 0 HH TYR A 109 -4.396 -2.332 1.751 0.50 0.00 H new ATOM 1679 N THR A 110 4.191 -2.097 4.391 0.50 0.00 N ATOM 1680 CA THR A 110 5.582 -1.724 4.777 0.50 0.00 C ATOM 1681 C THR A 110 6.396 -1.478 3.509 0.50 0.00 C ATOM 1682 O THR A 110 6.820 -2.401 2.842 0.50 0.00 O ATOM 1683 CB THR A 110 6.130 -2.925 5.549 0.50 0.00 C ATOM 1684 OG1 THR A 110 5.265 -3.221 6.638 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.527 -2.596 6.079 0.50 0.00 C ATOM 0 H THR A 110 4.121 -2.725 3.590 0.50 0.00 H new ATOM 0 HA THR A 110 5.625 -0.819 5.382 0.50 0.00 H new ATOM 0 HB THR A 110 6.188 -3.789 4.887 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.614 -3.991 7.133 0.50 0.00 H new ATOM 0 HG21 THR A 110 7.918 -3.452 6.629 0.50 0.00 H new ATOM 0 HG22 THR A 110 8.189 -2.369 5.243 0.50 0.00 H new ATOM 0 HG23 THR A 110 7.471 -1.733 6.742 0.50 0.00 H new ATOM 1693 N VAL A 111 6.605 -0.239 3.158 0.50 0.00 N ATOM 1694 CA VAL A 111 7.374 0.060 1.920 0.50 0.00 C ATOM 1695 C VAL A 111 8.880 -0.022 2.190 0.50 0.00 C ATOM 1696 O VAL A 111 9.369 0.468 3.188 0.50 0.00 O ATOM 1697 CB VAL A 111 6.932 1.474 1.522 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.611 2.519 2.403 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.298 1.728 0.065 0.50 0.00 C ATOM 0 H VAL A 111 6.277 0.577 3.675 0.50 0.00 H new ATOM 0 HA VAL A 111 7.184 -0.654 1.119 0.50 0.00 H new ATOM 0 HB VAL A 111 5.853 1.552 1.655 0.50 0.00 H new ATOM 0 HG11 VAL A 111 7.284 3.515 2.104 0.50 0.00 H new ATOM 0 HG12 VAL A 111 7.342 2.346 3.445 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.692 2.443 2.290 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.984 2.733 -0.219 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.377 1.635 -0.061 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.795 0.998 -0.569 0.50 0.00 H new ATOM 1709 N THR A 112 9.612 -0.662 1.317 0.50 0.00 N ATOM 1710 CA THR A 112 11.082 -0.800 1.532 0.50 0.00 C ATOM 1711 C THR A 112 11.865 -0.150 0.384 0.50 0.00 C ATOM 1712 O THR A 112 11.694 -0.492 -0.770 0.50 0.00 O ATOM 1713 CB THR A 112 11.317 -2.318 1.574 0.50 0.00 C ATOM 1714 OG1 THR A 112 11.098 -2.789 2.896 0.50 0.00 O ATOM 1715 CG2 THR A 112 12.752 -2.650 1.148 0.50 0.00 C ATOM 0 H THR A 112 9.256 -1.095 0.465 0.50 0.00 H new ATOM 0 HA THR A 112 11.421 -0.304 2.442 0.50 0.00 H new ATOM 0 HB THR A 112 10.625 -2.802 0.885 0.50 0.00 H new ATOM 0 HG1 THR A 112 10.789 -3.718 2.865 0.50 0.00 H new ATOM 0 HG21 THR A 112 12.902 -3.729 1.183 0.50 0.00 H new ATOM 0 HG22 THR A 112 12.922 -2.293 0.132 0.50 0.00 H new ATOM 0 HG23 THR A 112 13.454 -2.164 1.825 0.50 0.00 H new ATOM 1723 N VAL A 113 12.739 0.769 0.700 0.50 0.00 N ATOM 1724 CA VAL A 113 13.555 1.427 -0.364 0.50 0.00 C ATOM 1725 C VAL A 113 14.921 0.732 -0.445 0.50 0.00 C ATOM 1726 O VAL A 113 15.551 0.477 0.562 0.50 0.00 O ATOM 1727 CB VAL A 113 13.704 2.894 0.073 0.50 0.00 C ATOM 1728 CG1 VAL A 113 12.328 3.478 0.400 0.50 0.00 C ATOM 1729 CG2 VAL A 113 14.601 2.984 1.312 0.50 0.00 C ATOM 0 H VAL A 113 12.924 1.093 1.649 0.50 0.00 H new ATOM 0 HA VAL A 113 13.095 1.364 -1.350 0.50 0.00 H new ATOM 0 HB VAL A 113 14.157 3.460 -0.741 0.50 0.00 H new ATOM 0 HG11 VAL A 113 12.438 4.517 0.709 0.50 0.00 H new ATOM 0 HG12 VAL A 113 11.692 3.428 -0.484 0.50 0.00 H new ATOM 0 HG13 VAL A 113 11.872 2.905 1.208 0.50 0.00 H new ATOM 0 HG21 VAL A 113 14.701 4.027 1.614 0.50 0.00 H new ATOM 0 HG22 VAL A 113 14.156 2.411 2.126 0.50 0.00 H new ATOM 0 HG23 VAL A 113 15.585 2.578 1.079 0.50 0.00 H new ATOM 1739 N LYS A 114 15.376 0.405 -1.625 0.50 0.00 N ATOM 1740 CA LYS A 114 16.692 -0.290 -1.739 0.50 0.00 C ATOM 1741 C LYS A 114 17.553 0.331 -2.843 0.50 0.00 C ATOM 1742 O LYS A 114 17.058 0.976 -3.747 0.50 0.00 O ATOM 1743 CB LYS A 114 16.344 -1.737 -2.085 0.50 0.00 C ATOM 1744 CG LYS A 114 17.561 -2.631 -1.837 0.50 0.00 C ATOM 1745 CD LYS A 114 17.144 -4.102 -1.921 0.50 0.00 C ATOM 1746 CE LYS A 114 18.167 -4.880 -2.752 0.50 0.00 C ATOM 1747 NZ LYS A 114 17.504 -6.178 -3.060 0.50 0.00 N ATOM 0 H LYS A 114 14.899 0.587 -2.508 0.50 0.00 H new ATOM 0 HA LYS A 114 17.270 -0.210 -0.819 0.50 0.00 H new ATOM 0 HB2 LYS A 114 15.503 -2.074 -1.479 0.50 0.00 H new ATOM 0 HB3 LYS A 114 16.034 -1.808 -3.128 0.50 0.00 H new ATOM 0 HG2 LYS A 114 18.336 -2.420 -2.574 0.50 0.00 H new ATOM 0 HG3 LYS A 114 17.987 -2.419 -0.856 0.50 0.00 H new ATOM 0 HD2 LYS A 114 17.074 -4.528 -0.920 0.50 0.00 H new ATOM 0 HD3 LYS A 114 16.155 -4.185 -2.373 0.50 0.00 H new ATOM 0 HE2 LYS A 114 18.426 -4.342 -3.664 0.50 0.00 H new ATOM 0 HE3 LYS A 114 19.093 -5.031 -2.198 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 18.144 -6.768 -3.629 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 17.276 -6.670 -2.173 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 16.629 -6.003 -3.594 0.50 0.00 H new ATOM 1761 N ASN A 115 18.841 0.128 -2.770 0.50 0.00 N ATOM 1762 CA ASN A 115 19.760 0.688 -3.803 0.50 0.00 C ATOM 1763 C ASN A 115 21.155 0.070 -3.633 0.50 0.00 C ATOM 1764 O ASN A 115 21.420 -0.584 -2.643 0.50 0.00 O ATOM 1765 CB ASN A 115 19.790 2.196 -3.542 0.50 0.00 C ATOM 1766 CG ASN A 115 19.253 2.946 -4.767 0.50 0.00 C ATOM 1767 OD1 ASN A 115 19.218 2.409 -5.856 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.831 4.173 -4.631 0.50 0.00 N ATOM 0 H ASN A 115 19.300 -0.407 -2.032 0.50 0.00 H new ATOM 0 HA ASN A 115 19.434 0.472 -4.820 0.50 0.00 H new ATOM 0 HB2 ASN A 115 19.188 2.435 -2.665 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.809 2.517 -3.326 0.50 0.00 H new ATOM 0 HD21 ASN A 115 18.472 4.681 -5.439 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.860 4.624 -3.717 0.50 0.00 H new ATOM 1775 N PRO A 116 22.000 0.282 -4.609 0.50 0.00 N ATOM 1776 CA PRO A 116 23.373 -0.286 -4.562 0.50 0.00 C ATOM 1777 C PRO A 116 24.234 0.402 -3.495 0.50 0.00 C ATOM 1778 O PRO A 116 25.336 -0.029 -3.215 0.50 0.00 O ATOM 1779 CB PRO A 116 23.919 -0.017 -5.962 0.50 0.00 C ATOM 1780 CG PRO A 116 23.135 1.151 -6.462 0.50 0.00 C ATOM 1781 CD PRO A 116 21.770 1.061 -5.833 0.50 0.00 C ATOM 0 HA PRO A 116 23.378 -1.343 -4.296 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.986 0.206 -5.934 0.50 0.00 H new ATOM 0 HB3 PRO A 116 23.792 -0.885 -6.609 0.50 0.00 H new ATOM 0 HG2 PRO A 116 23.623 2.088 -6.193 0.50 0.00 H new ATOM 0 HG3 PRO A 116 23.062 1.130 -7.549 0.50 0.00 H new ATOM 0 HD2 PRO A 116 21.367 2.049 -5.609 0.50 0.00 H new ATOM 0 HD3 PRO A 116 21.057 0.568 -6.493 0.50 0.00 H new ATOM 1789 N VAL A 117 23.756 1.463 -2.896 0.50 0.00 N ATOM 1790 CA VAL A 117 24.574 2.150 -1.853 0.50 0.00 C ATOM 1791 C VAL A 117 24.057 1.803 -0.452 0.50 0.00 C ATOM 1792 O VAL A 117 24.823 1.695 0.486 0.50 0.00 O ATOM 1793 CB VAL A 117 24.435 3.649 -2.130 0.50 0.00 C ATOM 1794 CG1 VAL A 117 25.326 4.426 -1.160 0.50 0.00 C ATOM 1795 CG2 VAL A 117 24.872 3.948 -3.566 0.50 0.00 C ATOM 0 H VAL A 117 22.844 1.880 -3.082 0.50 0.00 H new ATOM 0 HA VAL A 117 25.617 1.837 -1.890 0.50 0.00 H new ATOM 0 HB VAL A 117 23.395 3.948 -1.997 0.50 0.00 H new ATOM 0 HG11 VAL A 117 25.230 5.494 -1.354 0.50 0.00 H new ATOM 0 HG12 VAL A 117 25.020 4.214 -0.136 0.50 0.00 H new ATOM 0 HG13 VAL A 117 26.364 4.124 -1.298 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.772 5.016 -3.762 0.50 0.00 H new ATOM 0 HG22 VAL A 117 25.912 3.650 -3.699 0.50 0.00 H new ATOM 0 HG23 VAL A 117 24.243 3.392 -4.261 0.50 0.00 H new ATOM 1805 N GLY A 118 22.769 1.621 -0.296 0.50 0.00 N ATOM 1806 CA GLY A 118 22.230 1.277 1.052 0.50 0.00 C ATOM 1807 C GLY A 118 20.795 0.764 0.921 0.50 0.00 C ATOM 1808 O GLY A 118 20.390 0.279 -0.117 0.50 0.00 O ATOM 0 H GLY A 118 22.074 1.695 -1.039 0.50 0.00 H new ATOM 0 HA2 GLY A 118 22.856 0.518 1.521 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.255 2.154 1.698 0.50 0.00 H new ATOM 1812 N GLU A 119 20.025 0.874 1.970 0.50 0.00 N ATOM 1813 CA GLU A 119 18.610 0.401 1.919 0.50 0.00 C ATOM 1814 C GLU A 119 17.851 0.880 3.161 0.50 0.00 C ATOM 1815 O GLU A 119 18.414 1.006 4.232 0.50 0.00 O ATOM 1816 CB GLU A 119 18.700 -1.127 1.894 0.50 0.00 C ATOM 1817 CG GLU A 119 19.367 -1.626 3.178 0.50 0.00 C ATOM 1818 CD GLU A 119 20.171 -2.892 2.878 0.50 0.00 C ATOM 1819 OE1 GLU A 119 19.671 -3.727 2.143 0.50 0.00 O ATOM 1820 OE2 GLU A 119 21.274 -3.005 3.388 0.50 0.00 O ATOM 0 H GLU A 119 20.315 1.272 2.863 0.50 0.00 H new ATOM 0 HA GLU A 119 18.075 0.787 1.052 0.50 0.00 H new ATOM 0 HB2 GLU A 119 17.703 -1.558 1.799 0.50 0.00 H new ATOM 0 HB3 GLU A 119 19.272 -1.453 1.025 0.50 0.00 H new ATOM 0 HG2 GLU A 119 20.022 -0.855 3.584 0.50 0.00 H new ATOM 0 HG3 GLU A 119 18.611 -1.834 3.936 0.50 0.00 H new ATOM 1827 N ASP A 120 16.579 1.145 3.028 0.50 0.00 N ATOM 1828 CA ASP A 120 15.785 1.614 4.203 0.50 0.00 C ATOM 1829 C ASP A 120 14.376 1.016 4.160 0.50 0.00 C ATOM 1830 O ASP A 120 13.976 0.418 3.180 0.50 0.00 O ATOM 1831 CB ASP A 120 15.731 3.137 4.063 0.50 0.00 C ATOM 1832 CG ASP A 120 16.091 3.788 5.400 0.50 0.00 C ATOM 1833 OD1 ASP A 120 15.285 3.709 6.311 0.50 0.00 O ATOM 1834 OD2 ASP A 120 17.169 4.354 5.489 0.50 0.00 O ATOM 0 H ASP A 120 16.055 1.057 2.157 0.50 0.00 H new ATOM 0 HA ASP A 120 16.228 1.310 5.151 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.424 3.466 3.289 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.734 3.449 3.752 0.50 0.00 H new ATOM 1839 N GLN A 121 13.622 1.172 5.216 0.50 0.00 N ATOM 1840 CA GLN A 121 12.241 0.611 5.237 0.50 0.00 C ATOM 1841 C GLN A 121 11.314 1.504 6.066 0.50 0.00 C ATOM 1842 O GLN A 121 11.755 2.331 6.840 0.50 0.00 O ATOM 1843 CB GLN A 121 12.382 -0.766 5.887 0.50 0.00 C ATOM 1844 CG GLN A 121 11.008 -1.433 5.973 0.50 0.00 C ATOM 1845 CD GLN A 121 11.181 -2.917 6.300 0.50 0.00 C ATOM 1846 OE1 GLN A 121 10.960 -3.335 7.419 0.50 0.00 O ATOM 1847 NE2 GLN A 121 11.570 -3.739 5.363 0.50 0.00 N ATOM 0 H GLN A 121 13.903 1.664 6.064 0.50 0.00 H new ATOM 0 HA GLN A 121 11.808 0.549 4.239 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.063 -1.387 5.305 0.50 0.00 H new ATOM 0 HB3 GLN A 121 12.813 -0.667 6.883 0.50 0.00 H new ATOM 0 HG2 GLN A 121 10.404 -0.949 6.740 0.50 0.00 H new ATOM 0 HG3 GLN A 121 10.476 -1.317 5.029 0.50 0.00 H new ATOM 0 HE21 GLN A 121 11.756 -3.390 4.423 0.50 0.00 H new ATOM 0 HE22 GLN A 121 11.688 -4.731 5.571 0.50 0.00 H new ATOM 1856 N VAL A 122 10.030 1.335 5.908 0.50 0.00 N ATOM 1857 CA VAL A 122 9.054 2.158 6.679 0.50 0.00 C ATOM 1858 C VAL A 122 7.684 1.476 6.639 0.50 0.00 C ATOM 1859 O VAL A 122 7.436 0.613 5.819 0.50 0.00 O ATOM 1860 CB VAL A 122 9.026 3.543 5.990 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.406 3.416 4.513 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.624 4.159 6.088 0.50 0.00 C ATOM 0 H VAL A 122 9.611 0.656 5.272 0.50 0.00 H new ATOM 0 HA VAL A 122 9.329 2.266 7.728 0.50 0.00 H new ATOM 0 HB VAL A 122 9.746 4.185 6.497 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.381 4.400 4.045 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.410 3.000 4.430 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.698 2.757 4.011 0.50 0.00 H new ATOM 0 HG21 VAL A 122 7.620 5.133 5.599 0.50 0.00 H new ATOM 0 HG22 VAL A 122 6.904 3.504 5.598 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.351 4.278 7.137 0.50 0.00 H new ATOM 1872 N ASN A 123 6.797 1.847 7.520 0.50 0.00 N ATOM 1873 CA ASN A 123 5.449 1.207 7.532 0.50 0.00 C ATOM 1874 C ASN A 123 4.396 2.167 6.981 0.50 0.00 C ATOM 1875 O ASN A 123 4.406 3.347 7.265 0.50 0.00 O ATOM 1876 CB ASN A 123 5.160 0.890 8.999 0.50 0.00 C ATOM 1877 CG ASN A 123 6.316 0.084 9.595 0.50 0.00 C ATOM 1878 OD1 ASN A 123 6.912 0.487 10.575 0.50 0.00 O ATOM 1879 ND2 ASN A 123 6.660 -1.047 9.041 0.50 0.00 N ATOM 0 H ASN A 123 6.945 2.563 8.231 0.50 0.00 H new ATOM 0 HA ASN A 123 5.423 0.312 6.910 0.50 0.00 H new ATOM 0 HB2 ASN A 123 5.023 1.815 9.560 0.50 0.00 H new ATOM 0 HB3 ASN A 123 4.231 0.326 9.082 0.50 0.00 H new ATOM 0 HD21 ASN A 123 7.429 -1.593 9.430 0.50 0.00 H new ATOM 0 HD22 ASN A 123 6.160 -1.385 8.219 0.50 0.00 H new ATOM 1886 N LEU A 124 3.483 1.659 6.204 0.50 0.00 N ATOM 1887 CA LEU A 124 2.409 2.520 5.631 0.50 0.00 C ATOM 1888 C LEU A 124 1.049 2.059 6.165 0.50 0.00 C ATOM 1889 O LEU A 124 0.569 0.994 5.829 0.50 0.00 O ATOM 1890 CB LEU A 124 2.514 2.314 4.113 0.50 0.00 C ATOM 1891 CG LEU A 124 1.302 2.935 3.402 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.765 4.075 2.494 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.612 1.867 2.548 0.50 0.00 C ATOM 0 H LEU A 124 3.433 0.676 5.938 0.50 0.00 H new ATOM 0 HA LEU A 124 2.512 3.572 5.897 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.433 2.767 3.741 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.569 1.249 3.887 0.50 0.00 H new ATOM 0 HG LEU A 124 0.607 3.321 4.148 0.50 0.00 H new ATOM 0 HD11 LEU A 124 0.903 4.513 1.991 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.262 4.838 3.093 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.461 3.688 1.750 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.248 2.305 2.042 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.313 1.485 1.806 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.279 1.049 3.187 0.50 0.00 H new ATOM 1905 N THR A 125 0.428 2.852 6.997 0.50 0.00 N ATOM 1906 CA THR A 125 -0.898 2.457 7.556 0.50 0.00 C ATOM 1907 C THR A 125 -2.017 2.874 6.602 0.50 0.00 C ATOM 1908 O THR A 125 -1.895 3.842 5.875 0.50 0.00 O ATOM 1909 CB THR A 125 -1.012 3.208 8.887 0.50 0.00 C ATOM 1910 OG1 THR A 125 -2.250 2.885 9.505 0.50 0.00 O ATOM 1911 CG2 THR A 125 -0.941 4.719 8.644 0.50 0.00 C ATOM 0 H THR A 125 0.781 3.755 7.313 0.50 0.00 H new ATOM 0 HA THR A 125 -0.984 1.379 7.693 0.50 0.00 H new ATOM 0 HB THR A 125 -0.188 2.913 9.537 0.50 0.00 H new ATOM 0 HG1 THR A 125 -2.325 3.363 10.357 0.50 0.00 H new ATOM 0 HG21 THR A 125 -1.023 5.245 9.595 0.50 0.00 H new ATOM 0 HG22 THR A 125 0.010 4.967 8.173 0.50 0.00 H new ATOM 0 HG23 THR A 125 -1.760 5.021 7.991 0.50 0.00 H new ATOM 1919 N VAL A 126 -3.104 2.154 6.596 0.50 0.00 N ATOM 1920 CA VAL A 126 -4.227 2.513 5.684 0.50 0.00 C ATOM 1921 C VAL A 126 -5.547 2.580 6.461 0.50 0.00 C ATOM 1922 O VAL A 126 -5.680 2.015 7.529 0.50 0.00 O ATOM 1923 CB VAL A 126 -4.269 1.398 4.634 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -4.357 0.036 5.325 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -5.494 1.588 3.733 0.50 0.00 C ATOM 0 H VAL A 126 -3.264 1.334 7.182 0.50 0.00 H new ATOM 0 HA VAL A 126 -4.084 3.492 5.226 0.50 0.00 H new ATOM 0 HB VAL A 126 -3.361 1.440 4.033 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -4.387 -0.752 4.573 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -3.485 -0.105 5.964 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -5.262 -0.007 5.931 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -5.523 0.794 2.986 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -6.400 1.550 4.338 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -5.431 2.555 3.233 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.524 3.266 5.926 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.836 3.371 6.628 0.50 0.00 C ATOM 1937 C LYS A 127 -8.948 3.686 5.624 0.50 0.00 C ATOM 1938 O LYS A 127 -8.898 4.675 4.918 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.667 4.524 7.618 0.50 0.00 C ATOM 1940 CG LYS A 127 -8.938 4.668 8.457 0.50 0.00 C ATOM 1941 CD LYS A 127 -8.788 3.868 9.755 0.50 0.00 C ATOM 1942 CE LYS A 127 -10.116 3.184 10.091 0.50 0.00 C ATOM 1943 NZ LYS A 127 -10.962 4.256 10.684 0.50 0.00 N ATOM 0 H LYS A 127 -6.469 3.757 5.034 0.50 0.00 H new ATOM 0 HA LYS A 127 -8.111 2.442 7.128 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.810 4.338 8.266 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -7.466 5.451 7.081 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -9.119 5.719 8.684 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -9.800 4.310 7.894 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -8.000 3.122 9.646 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -8.491 4.529 10.569 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -10.580 2.763 9.199 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -9.971 2.363 10.793 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -11.878 3.856 10.972 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -10.483 4.656 11.516 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -11.117 5.005 9.980 0.50 0.00 H new ATOM 1957 N VAL A 128 -9.955 2.856 5.560 0.50 0.00 N ATOM 1958 CA VAL A 128 -11.075 3.106 4.608 0.50 0.00 C ATOM 1959 C VAL A 128 -12.310 3.587 5.374 0.50 0.00 C ATOM 1960 O VAL A 128 -12.827 2.899 6.233 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.356 1.750 3.946 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.572 1.868 3.025 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -10.141 1.304 3.122 0.50 0.00 C ATOM 0 H VAL A 128 -10.050 2.014 6.128 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.827 3.872 3.873 0.50 0.00 H new ATOM 0 HB VAL A 128 -11.554 1.013 4.724 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -12.769 0.904 2.557 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -13.441 2.173 3.608 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -12.373 2.612 2.254 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.351 0.341 2.657 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -9.935 2.044 2.348 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.273 1.210 3.775 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.791 4.756 5.059 0.50 0.00 N ATOM 1974 CA ILE A 129 -14.000 5.279 5.756 0.50 0.00 C ATOM 1975 C ILE A 129 -15.165 5.368 4.769 0.50 0.00 C ATOM 1976 O ILE A 129 -14.982 5.263 3.569 0.50 0.00 O ATOM 1977 CB ILE A 129 -13.611 6.667 6.273 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -13.173 7.558 5.103 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -12.460 6.533 7.270 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -14.104 8.769 5.001 0.50 0.00 C ATOM 0 H ILE A 129 -12.399 5.374 4.348 0.50 0.00 H new ATOM 0 HA ILE A 129 -14.320 4.632 6.573 0.50 0.00 H new ATOM 0 HB ILE A 129 -14.472 7.121 6.764 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -12.145 7.889 5.250 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -13.195 6.990 4.173 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -12.182 7.520 7.639 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -12.774 5.908 8.106 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -11.603 6.075 6.777 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -13.790 9.400 4.169 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -15.126 8.429 4.834 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -14.059 9.341 5.928 0.50 0.00 H new ATOM 1992 N ASP A 130 -16.359 5.550 5.263 0.50 0.00 N ATOM 1993 CA ASP A 130 -17.540 5.639 4.356 0.50 0.00 C ATOM 1994 C ASP A 130 -17.883 7.105 4.076 0.50 0.00 C ATOM 1995 O ASP A 130 -16.980 7.924 4.120 0.50 0.00 O ATOM 1996 CB ASP A 130 -18.676 4.952 5.118 0.50 0.00 C ATOM 1997 CG ASP A 130 -18.926 5.676 6.444 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -18.049 5.637 7.291 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -19.989 6.257 6.588 0.50 0.00 O ATOM 2000 OXT ASP A 130 -19.044 7.383 3.823 0.50 0.00 O ATOM 0 H ASP A 130 -16.569 5.641 6.257 0.50 0.00 H new ATOM 0 HA ASP A 130 -17.357 5.169 3.390 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -19.584 4.955 4.515 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.421 3.909 5.305 0.50 0.00 H new TER 2005 ASP A 130